Geometry & MOs

Info

ID:	174853
PubChem CID:	75822678
Reduced:	NSO3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	352.158254
ΔH_f, kcal/mol:	-65.68
Dipole, Da:	13.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.814106
Charge, e:	-1

Chem-info

IUPAC name:

N-(5-tert-butyl-2-methylphenyl)sulfonyl-3-(oxolan-2-yl)propanimidate

Drug info:

PubChemData

Smile

CCC(C)C(=NS(=O)(=O)C1=C(C=CC(=C1)C(C)(C)C)C)[O-]

DOS

IR

Vibrations