Geometry & MOs

Info

ID:

113288

PubChem CID:

50438495

Reduced:

FO4N5C30H32 (1)

Stoich.:

AB4C5D30E32 (1)

Weight, g/mol:

643.240639

ΔHf, kcal/mol:

-158.97

Dipole, Da:

8.14

IP(EA), eV:

 -8.94(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2,6-difluorophenyl)carbamoyl]phenyl]-1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations