Geometry & MOs

Info

ID:

98439

PubChem CID:

50044142

Reduced:

O5N6C41H44 (1)

Stoich.:

A5B6C41D44 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-140.41

Dipole, Da:

8.4

IP(EA), eV:

 -8.72(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-[(4-fluorobenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6)C

DOS

IR

Vibrations