Geometry & MOs

Info

ID:

98045

PubChem CID:

50038684

Reduced:

ClF2N6O6C38H41 (1)

Stoich.:

AB2C6D6E38F41 (1)

Weight, g/mol:

748.295152

ΔHf, kcal/mol:

-303.66

Dipole, Da:

9.98

IP(EA), eV:

 -8.93(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(cyclopentylcarbamoyl)phenyl]-1-[1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-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)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)N6CCOCC6

DOS

IR

Vibrations