Geometry & MOs

Info

ID:	147832
PubChem CID:	53787490
Reduced:	NO3C26H27 (1)
Stoich.:	AB3C26D27 (1)
Weight, g/mol:	446.166414
ΔH_f, kcal/mol:	-45.54
Dipole, Da:	3.66
IP(EA), eV:	-8.44(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=CC2=CC=NC=C2)C3=CC=C(C=C3)CO)OC4CCCC4

DOS

IR

Vibrations