Geometry & MOs

Info

ID:

215534

PubChem CID:

85084875

Reduced:

S2O11N17C38H73 (1)

Stoich.:

A2B11C17D38E73 (1)

Weight, g/mol:

1008.460622

ΔHf, kcal/mol:

-499.0

Dipole, Da:

3.17

IP(EA), eV:

 -8.61(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(CS)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)O)NC(=O)C(CCSC)N

DOS

IR

Vibrations