Geometry & MOs

Info

ID:	38657
PubChem CID:	8137354
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	371.169485
ΔH_f, kcal/mol:	-114.55
Dipole, Da:	5.59
IP(EA), eV:	-9.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCC(=O)NC3CC3)C

DOS

IR

Vibrations