Geometry & MOs

Info

ID:	271952
PubChem CID:	103704740
Reduced:	OSN2C8H12 (1)
Stoich.:	ABC2D8E12 (1)
Weight, g/mol:	305.039165
ΔH_f, kcal/mol:	-11.55
Dipole, Da:	2.07
IP(EA), eV:	-8.78(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylsulfonyl-2-nitrophenyl)sulfanylbutan-2-ol

Drug info:

PubChemData

Smile

CC(C(C)SC1=NN=CC=C1)O

DOS

IR

Vibrations