Geometry & MOs

Info

ID:	413855
PubChem CID:	135086806
Reduced:	N2S2O5C18H20 (1)
Stoich.:	A2B2C5D18E20 (1)
Weight, g/mol:	282.173213
ΔH_f, kcal/mol:	-144.88
Dipole, Da:	3.14
IP(EA), eV:	-8.56(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(tert-butyliminomethyl)-1-methylindol-3-yl]but-3-yn-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)/C(=N/O)/CC1=C(NC2=CC=CC=C21)C(SC(=O)C)SC(=O)C

DOS

IR

Vibrations