Geometry & MOs

Info

ID:	363662
PubChem CID:	127312368
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	319.099063
ΔH_f, kcal/mol:	-118.75
Dipole, Da:	8.01
IP(EA), eV:	-8.88(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-imidazol-1-ylphenyl)-1,1-dioxothiane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)CCN2C(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations