Geometry & MOs

Info

ID:

100678

PubChem CID:

50063547

Reduced:

FN6O6C39H41 (1)

Stoich.:

AB6C6D39E41 (1)

Weight, g/mol:

762.310803

ΔHf, kcal/mol:

-215.82

Dipole, Da:

11.89

IP(EA), eV:

 -8.76(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(cyclohexanecarbonylamino)phenyl]-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(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)OC

DOS

IR

Vibrations