Geometry & MOs

Info

ID:

107172

PubChem CID:

50193732

Reduced:

FO4N5C36H42 (1)

Stoich.:

AB4C5D36E42 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-190.17

Dipole, Da:

6.4

IP(EA), eV:

 -8.87(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-fluoro-3-[(3-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5)C)F

DOS

IR

Vibrations