Geometry & MOs

Info

ID:	187161
PubChem CID:	77536823
Reduced:	SN4O4C33H38 (1)
Stoich.:	AB4C4D33E38 (1)
Weight, g/mol:	349.93608
ΔH_f, kcal/mol:	-87.45
Dipole, Da:	4.25
IP(EA), eV:	-8.93(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-6-oxo-2-thiophen-2-yl-5H-quinoxaline-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CN(C)C(=O)C2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(CNCC4=CC(=CC=C4)OC)O)C

DOS

IR

Vibrations