Geometry & MOs

Info

ID:	50233
PubChem CID:	12012747
Reduced:	S2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	394.171499
ΔH_f, kcal/mol:	-131.56
Dipole, Da:	7.53
IP(EA), eV:	-8.35(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3-trimethyl-2-methylidene-5-(2,3,3-trimethylindol-5-yl)sulfonylindole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[C@H]2[C@H](CS[C@@H]3[C@H]2[C@@H]4CC[C@@]3(C4(C)C)C)CO

DOS

IR

Vibrations