Geometry & MOs

Info

ID:

113188

PubChem CID:

50434106

Reduced:

F4O4N5C32H33 (1)

Stoich.:

A4B4C5D32E33 (1)

Weight, g/mol:

690.334125

ΔHf, kcal/mol:

-305.93

Dipole, Da:

7.82

IP(EA), eV:

 -8.97(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[4-[(3,4-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)F)F)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations