Geometry & MOs

Info

ID:

97489

PubChem CID:

50032107

Reduced:

F4O4N5H33C36 (1)

Stoich.:

A4B4C5D33E36 (1)

Weight, g/mol:

639.242389

ΔHf, kcal/mol:

-270.03

Dipole, Da:

7.2

IP(EA), eV:

 -8.98(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(butan-2-ylcarbamoyl)-3-chlorophenyl]-1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations