Geometry & MOs

Info

ID:	324283
PubChem CID:	126677314
Reduced:	OSN2C8H12 (1)
Stoich.:	ABC2D8E12 (1)
Weight, g/mol:	537.262757
ΔH_f, kcal/mol:	-0.97
Dipole, Da:	5.62
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-O-tert-butyl 3-O-ethyl 1-trityl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-3,6-dicarboxylate

Drug info:

PubChemData

Smile

C/C=C(\C(=C/C=C)\O)/NC(=S)N

DOS

IR

Vibrations