Geometry & MOs

Info

ID:	234903
PubChem CID:	92303681
Reduced:	SN2O2C21H24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	362.163043
ΔH_f, kcal/mol:	-59.57
Dipole, Da:	3.35
IP(EA), eV:	-8.91(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CC=CC=C1[C@H]2N(C(=O)CS2)C3=CC=C(C=C3)C

DOS

IR

Vibrations