Geometry & MOs

Info

ID:	243851
PubChem CID:	99289378
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	-7.93
Dipole, Da:	5.3
IP(EA), eV:	-8.96(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CN(C[C@H]1NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=N3)C4CC4

DOS

IR

Vibrations