Geometry & MOs

Info

ID:	397406
PubChem CID:	135030175
Reduced:	BrON2S2C18H19 (1)
Stoich.:	ABC2D2E18F19 (1)
Weight, g/mol:	394.07145
ΔH_f, kcal/mol:	33.32
Dipole, Da:	3.94
IP(EA), eV:	-8.76(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide

Drug info:

PubChemData

Smile

CC#CC(C)(C)NC(=O)C(SC)SC1=CC2=CC(=CN=C2C=C1)Br

DOS

IR

Vibrations