Geometry & MOs

Info

ID:

222997

PubChem CID:

85333753

Reduced:

N6O7C16H27 (2)

Stoich.:

A6B7C16D27 (2)

Weight, g/mol:

832.371532

ΔHf, kcal/mol:

-649.96

Dipole, Da:

11.82

IP(EA), eV:

 -9.65(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-amino-2-[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]propanoylamino]-5-oxopentanoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)CN)C(=O)O

DOS

IR

Vibrations