Geometry & MOs

Info

ID:	133039
PubChem CID:	51466899
Reduced:	ClNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	473.07389
ΔH_f, kcal/mol:	-60.32
Dipole, Da:	6.15
IP(EA), eV:	-8.58(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-(4-bromophenyl)-3-(4-ethoxyphenyl)-4-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]1C(=O)NC2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations