Geometry & MOs

Info

ID:	382145
PubChem CID:	134973104
Reduced:	SO2N4C24H24 (1)
Stoich.:	AB2C4D24E24 (1)
Weight, g/mol:	398.174276
ΔH_f, kcal/mol:	35.25
Dipole, Da:	3.84
IP(EA), eV:	-8.61(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5aR)-3-methyl-1-phenylspiro[5a,6,7,8-tetrahydro-4H-pyrazolo[3,4-e]indolizine-5,4'-isoquinoline]-1',3'-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[C@]2(CC3=C(N4[C@@H]2CCC4)N(N=C3C)C5=CC=CC=C5)C#N

DOS

IR

Vibrations