Geometry & MOs

Info

ID:	314165
PubChem CID:	126620765
Reduced:	NH31C44 (1)
Stoich.:	AB31C44 (1)
Weight, g/mol:	365.094646
ΔH_f, kcal/mol:	185.15
Dipole, Da:	2.87
IP(EA), eV:	-8.19(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C(=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC(=C6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations