Geometry & MOs

Info

ID:

107352

PubChem CID:

50199635

Reduced:

FO5N6C42H45 (1)

Stoich.:

AB5C6D42E45 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-181.3

Dipole, Da:

4.12

IP(EA), eV:

 -8.95(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)C(=O)NCC6=CC=C(C=C6)F)C

DOS

IR

Vibrations