Geometry & MOs

Info

ID:	403624
PubChem CID:	135061071
Reduced:	NSO5H31C35 (1)
Stoich.:	ABC5D31E35 (1)
Weight, g/mol:	293.141579
ΔH_f, kcal/mol:	-74.04
Dipole, Da:	7.91
IP(EA), eV:	-9.13(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3-methoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3[C@@]24C[C@H](C=C(O4)C(=O)OCC5=CC=CC=C5)/C=C/C6=CC=CC=C6

DOS

IR

Vibrations