Geometry & MOs

Info

ID:	308357
PubChem CID:	125326294
Reduced:	N3O5H15C21 (1)
Stoich.:	A3B5C15D21 (1)
Weight, g/mol:	352.135782
ΔH_f, kcal/mol:	-108.45
Dipole, Da:	5.11
IP(EA), eV:	-9.33(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5S)-5-ethylsulfanyl-4-(4-methoxyphenyl)-1,5-dihydro-1,2,4-triazol-3-yl]-2H-indole

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=C(C1=O)C(=O)/C=C/[C@H]3C(=O)C4=C(NC3=O)N=CC=C4)O

DOS

IR

Vibrations