Geometry & MOs

Info

ID:	46728
PubChem CID:	10526706
Reduced:	BN2O5C23H37 (1)
Stoich.:	AB2C5D23E37 (1)
Weight, g/mol:	432.114378
ΔH_f, kcal/mol:	-300.86
Dipole, Da:	4.44
IP(EA), eV:	-8.91(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenyl)sulfonyl-2-phenyl-9,9a-dihydro-3aH-pyrrolo[3,4-b]quinoline-1,3-dione

Drug info:

PubChemData

Smile

B1(O[C@@H]2[C@@H]3C[C@@H](C3(C)C)C[C@@]2(O1)C)[C@@H]4CCCN4C(=O)[C@@H]5CCN5C(=O)OC(C)(C)C

DOS

IR

Vibrations