Geometry & MOs

Info

ID:	283069
PubChem CID:	103956537
Reduced:	SN2O2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	220.05964
ΔH_f, kcal/mol:	-33.36
Dipole, Da:	4.21
IP(EA), eV:	-9.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=NC=CS2)O

DOS

IR

Vibrations