Geometry & MOs

Info

ID:	95274
PubChem CID:	50007669
Reduced:	SO4N6C27H38 (1)
Stoich.:	AB4C6D27E38 (1)
Weight, g/mol:	476.203525
ΔH_f, kcal/mol:	-155.87
Dipole, Da:	8.57
IP(EA), eV:	-8.75(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=NC=CS3

DOS

IR

Vibrations