Geometry & MOs

Info

ID:	231718
PubChem CID:	87574510
Reduced:	N2O5C6H13 (1)
Stoich.:	A2B5C6D13 (1)
Weight, g/mol:	422.95384
ΔH_f, kcal/mol:	-116.23
Dipole, Da:	16.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.828377
Charge, e:	0

Chem-info

IUPAC name:

(4-iodophenyl)methyl 4-sulfanylidene-1H-pyrido[2,3-c]pyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C[N+](C)(C)CC(=O)[O-].C(=O)(N)O[O-]

DOS

IR

Vibrations