Geometry & MOs

Info

ID:

103637

PubChem CID:

50072050

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-175.26

Dipole, Da:

10.8

IP(EA), eV:

 -9.06(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-[(2-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)C)F)C

DOS

IR

Vibrations