Geometry & MOs

Info

ID:	27829
PubChem CID:	823770
Reduced:	ClOSN2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	315.066221
ΔH_f, kcal/mol:	-28.89
Dipole, Da:	4.89
IP(EA), eV:	-8.92(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one

Drug info:

PubChemData

Smile

CCC(=O)NC(=S)NC1=CC=C(C=C1)Cl

DOS

IR

Vibrations