Geometry & MOs

Info

ID:	406845
PubChem CID:	135078772
Reduced:	ClNO4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	-113.9
Dipole, Da:	4.23
IP(EA), eV:	-9.1(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[hydroxy(dimethyl)-lambda4-sulfanyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)Cl)C2=CC=CC=C2C=C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations