Geometry & MOs

Info

ID:

98526

PubChem CID:

50044788

Reduced:

FO4N5C38H40 (1)

Stoich.:

AB4C5D38E40 (1)

Weight, g/mol:

667.297011

ΔHf, kcal/mol:

-152.12

Dipole, Da:

13.73

IP(EA), eV:

 -8.67(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-fluorobenzoyl)amino]-4-methylphenyl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations