Geometry & MOs

Info

ID:	149180
PubChem CID:	53788852
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	243.092915
ΔH_f, kcal/mol:	35.41
Dipole, Da:	5.44
IP(EA), eV:	-8.62(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2,2-dimethyl-3-sulfanylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations