Geometry & MOs

Info

ID:

101398

PubChem CID:

50064665

Reduced:

F4O5N6H40C41 (1)

Stoich.:

A4B5C6D40E41 (1)

Weight, g/mol:

746.340353

ΔHf, kcal/mol:

-318.13

Dipole, Da:

10.03

IP(EA), eV:

 -9.13(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-[1-[2-[5-[(3,4-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=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)CC6=CC=C(C=C6)F

DOS

IR

Vibrations