Geometry & MOs

Info

ID:	124217
PubChem CID:	50875024
Reduced:	SO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	17.94
Dipole, Da:	5.02
IP(EA), eV:	-9.02(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CC(=O)N(C)CC2=NC(=NO2)C3=CC=CS3

DOS

IR

Vibrations