Geometry & MOs

Info

ID:	283049
PubChem CID:	103955666
Reduced:	S2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	293.083413
ΔH_f, kcal/mol:	58.43
Dipole, Da:	1.65
IP(EA), eV:	-8.26(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CC(C2=C(S1)SC=C2)NCC3=CN(N=C3C)C

DOS

IR

Vibrations