Geometry & MOs

Info

ID:

95251

PubChem CID:

50007501

Reduced:

O4N5C31H41 (1)

Stoich.:

A4B5C31D41 (1)

Weight, g/mol:

563.234411

ΔHf, kcal/mol:

-163.91

Dipole, Da:

5.33

IP(EA), eV:

 -8.98(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2,6-difluorophenyl)carbamoyl]phenyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)C

DOS

IR

Vibrations