Geometry & MOs

Info

ID:	326547
PubChem CID:	126687754
Reduced:	N3O8C14H21 (1)
Stoich.:	A3B8C14D21 (1)
Weight, g/mol:	1049.604886
ΔH_f, kcal/mol:	-344.09
Dipole, Da:	6.91
IP(EA), eV:	-10.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[2-[[(2S)-3-[3-[5-[(1S)-1-[[2-[[(2R)-2-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]-methylamino]-2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-2-methylpropanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CNC(=O)C[C@@H](C1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)OCOC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CNC(=O)C[C@@H](C1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)OCOC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):