Geometry & MOs

Info

ID:	244629
PubChem CID:	99368480
Reduced:	FSN3O3C21H24 (1)
Stoich.:	ABC3D3E21F24 (1)
Weight, g/mol:	410.079724
ΔH_f, kcal/mol:	-104.03
Dipole, Da:	2.03
IP(EA), eV:	-8.7(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-(phenoxymethyl)furan-2-carbonyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carbohydrazide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NNC(=O)C1=CC=C(C=C1)CN2CCSCC2)OC3=CC=C(C=C3)F

DOS

IR

Vibrations