Geometry & MOs

Info

ID:	129581
PubChem CID:	51073171
Reduced:	SO2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	236.087101
ΔH_f, kcal/mol:	-2.61
Dipole, Da:	6.36
IP(EA), eV:	-9.02(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethylphenyl)sulfanyl-5-methyloxolan-2-one

Drug info:

PubChemData

Smile

CC(C#N)(C1CC1)NC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4

DOS

IR

Vibrations