Geometry & MOs

Info

ID:	29933
PubChem CID:	838313
Reduced:	ClNOH12C13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	315.092915
ΔH_f, kcal/mol:	-27.18
Dipole, Da:	2.0
IP(EA), eV:	-8.59(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-propylindol-2-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NC3=C2CCCC3=O)Cl

DOS

IR

Vibrations