Geometry & MOs

Info

ID:

92486

PubChem CID:

49987212

Reduced:

FO4N5C36H42 (1)

Stoich.:

AB4C5D36E42 (1)

Weight, g/mol:

631.297011

ΔHf, kcal/mol:

-186.6

Dipole, Da:

6.53

IP(EA), eV:

 -8.8(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)C

DOS

IR

Vibrations