Geometry & MOs

Info

ID:	314193
PubChem CID:	126620851
Reduced:	SN3O4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	421.120861
ΔH_f, kcal/mol:	-78.39
Dipole, Da:	10.98
IP(EA), eV:	-8.49(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[3-(2-carbamoyl-4-methyl-1H-indol-5-yl)-5-methylphenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CCC\1=CC(=O)C=C(/C1=C/2\NNC(=N2)SCC(=O)O)OC

DOS

IR

Vibrations