Geometry & MOs

Info

ID:	394267
PubChem CID:	135022660
Reduced:	S2Br3H7C15 (1)
Stoich.:	A2B3C7D15 (1)
Weight, g/mol:	504.220164
ΔH_f, kcal/mol:	134.49
Dipole, Da:	3.5
IP(EA), eV:	-8.79(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,4S,6R)-3-benzylidene-1,2,4,6-tetraphenyl-4,6-dihydrofuro[3,4-c]pyrazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C#CC2=C(C3=C(S2)C(=C(S3)Br)Br)Br

DOS

IR

Vibrations