Geometry & MOs

Info

ID:	89865
PubChem CID:	49965090
Reduced:	SO3N4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	375.071134
ΔH_f, kcal/mol:	-8.11
Dipole, Da:	6.58
IP(EA), eV:	-9.35(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-3,4-dithiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

COC(CN1C(C2=C(NN=C2C1=O)C3=CC=CS3)C4=CC=CC=N4)OC

DOS

IR

Vibrations