Geometry & MOs

Info

ID:	147398
PubChem CID:	53787054
Reduced:	NOSC8H9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	399.190186
ΔH_f, kcal/mol:	-26.15
Dipole, Da:	5.36
IP(EA), eV:	-9.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-hexan-2-yl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]ethanethioate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)S)N

DOS

IR

Vibrations