Geometry & MOs

Info

ID:	366602
PubChem CID:	127320131
Reduced:	NSO5C13H15 (1)
Stoich.:	ABC5D13E15 (1)
Weight, g/mol:	323.119129
ΔH_f, kcal/mol:	-178.38
Dipole, Da:	6.94
IP(EA), eV:	-9.38(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylmethoxy)-N-(1,1-dioxothian-3-yl)benzamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=C3C(=CC=C2)OCO3

DOS

IR

Vibrations