Geometry & MOs

Info

ID:

113777

PubChem CID:

50458254

Reduced:

F2O4N5C31H33 (1)

Stoich.:

A2B4C5D31E33 (1)

Weight, g/mol:

678.296597

ΔHf, kcal/mol:

-202.84

Dipole, Da:

7.21

IP(EA), eV:

 -8.78(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(2-fluorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC=C3F)F)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations