Geometry & MOs

Info

ID:

100693

PubChem CID:

50063657

Reduced:

F2O4N5C38H39 (1)

Stoich.:

A2B4C5D38E39 (1)

Weight, g/mol:

671.271939

ΔHf, kcal/mol:

-194.11

Dipole, Da:

8.02

IP(EA), eV:

 -8.76(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(3,4-difluorophenyl)carbamoyl]-6-methylphenyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC(=C2NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)C)C)F

DOS

IR

Vibrations