Geometry & MOs

Info

ID:	199152
PubChem CID:	79206268
Reduced:	NOSC18H21 (1)
Stoich.:	ABCD18E21 (1)
Weight, g/mol:	320.9823
ΔH_f, kcal/mol:	0.09
Dipole, Da:	3.06
IP(EA), eV:	-8.24(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-2-bromophenyl)-(4-methylsulfanylphenyl)methanone

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC)NCC2CSC3=CC=CC=C23

DOS

IR

Vibrations