Geometry & MOs

Info

ID:

223020

PubChem CID:

85333977

Reduced:

N10O15C40H62 (1)

Stoich.:

A10B15C40D62 (1)

Weight, g/mol:

925.404229

ΔHf, kcal/mol:

-703.11

Dipole, Da:

13.5

IP(EA), eV:

 -9.32(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[1-[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)O)C(=O)O)NC(=O)C1CCCN1C(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)N

DOS

IR

Vibrations