Geometry & MOs

Info

ID:	343926
PubChem CID:	127267102
Reduced:	SN2O5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	348.077993
ΔH_f, kcal/mol:	-81.96
Dipole, Da:	8.85
IP(EA), eV:	-8.71(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations