Geometry & MOs

Info

ID:	414146
PubChem CID:	135087101
Reduced:	ClSN2O2H19C20 (1)
Stoich.:	ABC2D2E19F20 (1)
Weight, g/mol:	353.199094
ΔH_f, kcal/mol:	-27.95
Dipole, Da:	10.23
IP(EA), eV:	-9.2(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-formyl-3-oct-1-ynylindole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2C3=CC(=NC=C3)Cl)C)C

DOS

IR

Vibrations