Geometry & MOs

Info

ID:	343927
PubChem CID:	127267103
Reduced:	SN2O5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	348.077993
ΔH_f, kcal/mol:	-85.0
Dipole, Da:	2.51
IP(EA), eV:	-8.88(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methyl-3-nitrophenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)CO)[N+](=O)[O-]

DOS

IR

Vibrations