Geometry & MOs

Info

ID:	46043
PubChem CID:	10520689
Reduced:	N4O5C15H18 (1)
Stoich.:	A4B5C15D18 (1)
Weight, g/mol:	334.096043
ΔH_f, kcal/mol:	-153.94
Dipole, Da:	9.1
IP(EA), eV:	-9.98(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazin-1-ium-3-yl)thiophen-2-yl]-2,4-dimethyl-1,2,4-triaza-5-azanidacyclohex-6-en-3-one

Drug info:

PubChemData

Smile

COC1=NC(=NC(=C1)[C@@H]2[C@H]3C[C@H](NC(=O)N3C(=O)O2)CC=C)OC

DOS

IR

Vibrations