Geometry & MOs

Info

ID:	397458
PubChem CID:	135030243
Reduced:	BrSN2O2C17H21 (1)
Stoich.:	ABC2D2E17F21 (1)
Weight, g/mol:	396.05071
ΔH_f, kcal/mol:	-62.0
Dipole, Da:	2.36
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC2=CC(=CN=C12)Br)OC(C(=O)NC(C)(C)C)SC

DOS

IR

Vibrations