Geometry & MOs

Info

ID:	189794
PubChem CID:	77906504
Reduced:	NS2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	433.134779
ΔH_f, kcal/mol:	-17.68
Dipole, Da:	8.32
IP(EA), eV:	-8.47(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-3-ethenyl-5-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@@H](C3=CC=CC=C32)C=C)C(=O)C4=CC=CS4

DOS

IR

Vibrations