Geometry & MOs

Info

ID:

223019

PubChem CID:

85333969

Reduced:

N10O12C43H72 (1)

Stoich.:

A10B12C43D72 (1)

Weight, g/mol:

922.439611

ΔHf, kcal/mol:

-592.58

Dipole, Da:

5.68

IP(EA), eV:

 -9.02(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[1-[2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations