Geometry & MOs

Info

ID:	182178
PubChem CID:	76856313
Reduced:	IOSN2H11C16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	394.097386
ΔH_f, kcal/mol:	65.18
Dipole, Da:	5.13
IP(EA), eV:	-9.13(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2,3-dioxoquinoxalin-1-ium-6-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C=CC(=O)NC3=CC(=CC=C3)I

DOS

IR

Vibrations