Geometry & MOs

Info

ID:	196433
PubChem CID:	78826218
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	426.99901
ΔH_f, kcal/mol:	-77.0
Dipole, Da:	8.27
IP(EA), eV:	-8.86(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)/C=C/C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)N(C)C

DOS

IR

Vibrations