Geometry & MOs

Info

ID:

99327

PubChem CID:

50049878

Reduced:

FN3O3C20H23 (2)

Stoich.:

AB3C3D20E23 (2)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-293.43

Dipole, Da:

10.0

IP(EA), eV:

 -9.14(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-[1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)C(=O)N6CCOCC6)C

DOS

IR

Vibrations