Geometry & MOs

Info

ID:	189793
PubChem CID:	77906503
Reduced:	NS2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	409.080636
ΔH_f, kcal/mol:	-15.59
Dipole, Da:	8.85
IP(EA), eV:	-8.48(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-3-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C3=CC=CC=C32)C=C)C(=O)C4=CC=CS4

DOS

IR

Vibrations