Geometry & MOs

Info

ID:

215055

PubChem CID:

85084066

Reduced:

PSN4O9C32H33 (1)

Stoich.:

ABC4D9E32F33 (1)

Weight, g/mol:

680.364596

ΔHf, kcal/mol:

-215.26

Dipole, Da:

1.61

IP(EA), eV:

 -8.6(-2.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[6-amino-1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-1-[2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2C3=C(CCN2C1)C4=CC=CC=C4C(C3)COP(=O)(O)OC5=CC=C(C=C5)NC(=O)CCSC6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations