Geometry & MOs

Info

ID:	407008
PubChem CID:	135079101
Reduced:	N5O7H16C18 (1)
Stoich.:	A5B7C16D18 (1)
Weight, g/mol:	285.08235
ΔH_f, kcal/mol:	-18.76
Dipole, Da:	11.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761211
Charge, e:	0

Chem-info

IUPAC name:

2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indole

Drug info:

PubChemData

Smile

CO/C(=C(/C(=O)N(CCC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])\[N+]#N)/O

DOS

IR

Vibrations