Geometry & MOs

Info

ID:	348816
PubChem CID:	127274464
Reduced:	NSO2C9H12 (2)
Stoich.:	ABC2D9E12 (2)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-166.14
Dipole, Da:	4.3
IP(EA), eV:	-8.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)CC3CCS(=O)(=O)C3

DOS

IR

Vibrations