Geometry & MOs

Info

ID:

184272

PubChem CID:

77138284

Reduced:

N3O10C38H71 (1)

Stoich.:

A3B10C38D71 (1)

Weight, g/mol:

757.397018

ΔHf, kcal/mol:

-534.82

Dipole, Da:

5.84

IP(EA), eV:

 -8.33(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[1-[4-amino-2-[(2-amino-3-methylpentanoyl)amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC(=O)NCC2CCCCC2)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O

DOS

IR

Vibrations