Geometry & MOs

Info

ID:	366201
PubChem CID:	127319616
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	275.119129
ΔH_f, kcal/mol:	-77.33
Dipole, Da:	3.66
IP(EA), eV:	-8.84(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-3-(oxolan-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(CCC3)C(=N2)C(=O)NC4CCCS(=O)(=O)C4

DOS

IR

Vibrations