Geometry & MOs

Info

ID:

97324

PubChem CID:

50030384

Reduced:

F2O4N5C32H35 (1)

Stoich.:

A2B4C5D32E35 (1)

Weight, g/mol:

655.260626

ΔHf, kcal/mol:

-223.78

Dipole, Da:

11.93

IP(EA), eV:

 -8.93(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-[(4-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC(C)C

DOS

IR

Vibrations