Geometry & MOs

Info

ID:	335524
PubChem CID:	127254386
Reduced:	N4O5C28H32 (1)
Stoich.:	A4B5C28D32 (1)
Weight, g/mol:	369.064408
ΔH_f, kcal/mol:	-167.22
Dipole, Da:	1.97
IP(EA), eV:	-8.76(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-oxo-5-(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC4=CC=CC=C4N(C3=O)CC(C)C)O

DOS

IR

Vibrations