Geometry & MOs

Info

ID:

148993

PubChem CID:

53788664

Reduced:

N2O2C23H30 (1)

Stoich.:

A2B2C23D30 (1)

Weight, g/mol:

870.346753

ΔHf, kcal/mol:

-20.44

Dipole, Da:

3.23

IP(EA), eV:

 -8.96(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[6-[(5-chloro-1H-indole-2-carbonyl)amino]-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)OCCC3=CC=CC=C3

DOS

IR

Vibrations