Geometry & MOs

Info

ID:	62520
PubChem CID:	26719829
Reduced:	SN2O5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	296.098334
ΔH_f, kcal/mol:	-78.25
Dipole, Da:	9.21
IP(EA), eV:	-8.26(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(3-methylsulfanylphenyl)-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C(=O)NC2=CC(=CC=C2)SC)[N+](=O)[O-])OC

DOS

IR

Vibrations