Geometry & MOs

Info

ID:	276221
PubChem CID:	103821344
Reduced:	SN2O4C7H16 (1)
Stoich.:	AB2C4D7E16 (1)
Weight, g/mol:	251.098
ΔH_f, kcal/mol:	-192.96
Dipole, Da:	5.73
IP(EA), eV:	-10.15(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxybutan-2-ylsulfanylmethyl)-4-methoxybenzonitrile

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)(C)C)NS(=O)(=O)N

DOS

IR

Vibrations