Geometry & MOs

Info

ID:	354264
PubChem CID:	127286228
Reduced:	SO2N4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	364.11246
ΔH_f, kcal/mol:	-83.58
Dipole, Da:	2.7
IP(EA), eV:	-8.53(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-thiomorpholin-4-ylphenyl)-4-cyanopiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCSCC2)NC(=O)NCCN3CCOC(C3)(C)C

DOS

IR

Vibrations