Geometry & MOs

Info

ID:	393561
PubChem CID:	135021038
Reduced:	S2N3O8H29C30 (1)
Stoich.:	A2B3C8D29E30 (1)
Weight, g/mol:	371.039834
ΔH_f, kcal/mol:	-172.0
Dipole, Da:	11.57
IP(EA), eV:	-8.66(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-1-methoxy-2-(3-methoxy-2,6-dithiophen-2-ylpyridin-4-yl)ethenolate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C3[C@H]4[C@@H](CC5=C3C2=CC=C5)C(N(C4C(=O)OC)S(=O)(=O)C6=CC=C(C=C6)[N+](=O)[O-])(C)C

DOS

IR

Vibrations