Geometry & MOs

Info

ID:	340047
PubChem CID:	127262056
Reduced:	N5O7C20H29 (1)
Stoich.:	A5B7C20D29 (1)
Weight, g/mol:	657.144839
ΔH_f, kcal/mol:	-244.16
Dipole, Da:	10.83
IP(EA), eV:	-9.94(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phosphonooxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phosphonooxypropanoyl]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(C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](C)C(=O)N)NC(=O)OC(C)(C)C

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

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):