Geometry & MOs

Info

ID:

107330

PubChem CID:

50199117

Reduced:

F2N6O7C38H44 (1)

Stoich.:

A2B6C7D38E44 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-336.81

Dipole, Da:

11.72

IP(EA), eV:

 -9.01(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(cyclopentylcarbamoyl)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=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC

DOS

IR

Vibrations