Geometry & MOs

Info

ID:	393047
PubChem CID:	135019141
Reduced:	BrNOH16C18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	375.116724
ΔH_f, kcal/mol:	39.07
Dipole, Da:	2.12
IP(EA), eV:	-8.56(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1,2-dihydroindol-2-ylium-3-yl(phenyl)methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H](C=C)C2=CNC3=C2C=C(C=C3)Br

DOS

IR

Vibrations