Geometry & MOs

Info

ID:	366136
PubChem CID:	127319516
Reduced:	NSO4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	341.111936
ΔH_f, kcal/mol:	-150.67
Dipole, Da:	7.39
IP(EA), eV:	-9.18(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethylphenyl)sulfanyl-N-(1,1-dioxothian-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)CC2=COC3=C2C=C4CCCC4=C3

DOS

IR

Vibrations