Geometry & MOs

Info

ID:	36248
PubChem CID:	7982407
Reduced:	ClOSN3C12H14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	414.091725
ΔH_f, kcal/mol:	14.15
Dipole, Da:	5.0
IP(EA), eV:	-8.37(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations