Geometry & MOs

Info

ID:	217313
PubChem CID:	85087602
Reduced:	NS2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	351.165686
ΔH_f, kcal/mol:	-64.93
Dipole, Da:	3.09
IP(EA), eV:	-8.39(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC=CC(=O)C1(C(=CCC12SCCS2)C3=NC(=C(O3)OC)C)C

DOS

IR

Vibrations