Geometry & MOs

Info

ID:	340050
PubChem CID:	127262059
Reduced:	O4N6C15H22 (1)
Stoich.:	A4B6C15D22 (1)
Weight, g/mol:	671.160489
ΔH_f, kcal/mol:	-124.46
Dipole, Da:	0.92
IP(EA), eV:	-9.9(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-phosphonooxybutanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]propanoic acid

Drug info:

PubChemData

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

C[C@@H](C(=O)N[C@@H](C)C(=O)N(C(=O)[C@H](C)N)NC(=O)C1=CC=NC=C1)N

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

C[C@@H](C(=O)N[C@@H](C)C(=O)N(C(=O)[C@H](C)N)NC(=O)C1=CC=NC=C1)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):