Geometry & MOs

Info

ID:

223071

PubChem CID:

85334470

Reduced:

O15N19C46H85 (1)

Stoich.:

A15B19C46D85 (1)

Weight, g/mol:

1143.552199

ΔHf, kcal/mol:

-710.03

Dipole, Da:

5.84

IP(EA), eV:

 -9.3(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-[(1-carboxy-3-methylsulfanylpropyl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C

DOS

IR

Vibrations