Geometry & MOs

Info

ID:	18065
PubChem CID:	536068
Reduced:	SO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	372.125612
ΔH_f, kcal/mol:	-12.68
Dipole, Da:	3.82
IP(EA), eV:	-8.64(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetyl-1-methyl-4-phenyl-3-thiophen-2-yl-3H-1,2,4,5-tetrazine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(N(N1C)C(=O)C)C2=CC=CS2)C3=CC=CC=C3

DOS

IR

Vibrations