Geometry & MOs

Info

ID:

101097

PubChem CID:

50064354

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

705.214123

ΔHf, kcal/mol:

-272.35

Dipole, Da:

8.23

IP(EA), eV:

 -8.97(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(trifluoromethyl)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=C(C=CC=C2F)F)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=CC=C5)F)C

DOS

IR

Vibrations