Geometry & MOs

Info

ID:	48645
PubChem CID:	11110234
Reduced:	NSO2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	327.108171
ΔH_f, kcal/mol:	-24.94
Dipole, Da:	2.19
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-phenylethenyl]-3-phenylsulfanyl-1H-indole

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OCC(C)C)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations