Geometry & MOs

Info

ID:	363666
PubChem CID:	127312372
Reduced:	SN2O4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	-171.15
Dipole, Da:	9.04
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(thiane-4-carbonylamino)phenyl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CC=CC=C2NC(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations