Geometry & MOs

Info

ID:	41511
PubChem CID:	8146039
Reduced:	ClS2N3H10C14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	350.103335
ΔH_f, kcal/mol:	105.24
Dipole, Da:	1.71
IP(EA), eV:	-8.32(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[(5-chloro-2,3-dioxoindol-1-yl)methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=CC=CC=C2N=C3C(=NSS3)Cl

DOS

IR

Vibrations