Geometry & MOs

Info

ID:

111558

PubChem CID:

50372539

Reduced:

O3N4C30H40 (1)

Stoich.:

A3B4C30D40 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-127.03

Dipole, Da:

3.77

IP(EA), eV:

 -8.7(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-[(3-fluorobenzoyl)amino]-4-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C)C

DOS

IR

Vibrations