Geometry & MOs

Info

ID:

109034

PubChem CID:

50269816

Reduced:

F2O3N4C30H32 (1)

Stoich.:

A2B3C4D30E32 (1)

Weight, g/mol:

667.297011

ΔHf, kcal/mol:

-173.14

Dipole, Da:

8.86

IP(EA), eV:

 -8.94(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations