Geometry & MOs

Info

ID:

108962

PubChem CID:

50266270

Reduced:

F4O4N5H33C36 (1)

Stoich.:

A4B4C5D33E36 (1)

Weight, g/mol:

654.216902

ΔHf, kcal/mol:

-269.86

Dipole, Da:

7.12

IP(EA), eV:

 -8.94(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-carbamoyl-5-chloroanilino)-2-oxoethyl]-1-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations