Geometry & MOs

Info

ID:	253658
PubChem CID:	103119820
Reduced:	SN6C12H14 (1)
Stoich.:	AB6C12D14 (1)
Weight, g/mol:	289.063346
ΔH_f, kcal/mol:	110.49
Dipole, Da:	5.16
IP(EA), eV:	-8.51(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1C(=NNC1=S)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations