Geometry & MOs

Info

ID:	89880
PubChem CID:	49965141
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	387.105291
ΔH_f, kcal/mol:	-65.81
Dipole, Da:	8.53
IP(EA), eV:	-9.0(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2C3=C(NN=C3C(=O)N2CC(OC)OC)C4=CC=CS4

DOS

IR

Vibrations