Geometry & MOs

Info

ID:

215576

PubChem CID:

85084926

Reduced:

N13O14C47H77 (1)

Stoich.:

A13B14C47D77 (1)

Weight, g/mol:

1050.498189

ΔHf, kcal/mol:

-650.15

Dipole, Da:

11.04

IP(EA), eV:

 -8.78(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)O)N

DOS

IR

Vibrations