Geometry & MOs

Info

ID:	257047
PubChem CID:	103143301
Reduced:	NOSC15H17 (1)
Stoich.:	ABCD15E17 (1)
Weight, g/mol:	356.9823
ΔH_f, kcal/mol:	-2.23
Dipole, Da:	4.8
IP(EA), eV:	-8.69(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfanyl-1-isoquinolin-8-ylethanone

Drug info:

PubChemData

Smile

CC(C)CSCC(=O)C1=CC=CC2=C1C=NC=C2

DOS

IR

Vibrations