Geometry & MOs

Info

ID:	169780
PubChem CID:	75146743
Reduced:	FNO4H10C15 (1)
Stoich.:	ABC4D10E15 (1)
Weight, g/mol:	345.071802
ΔH_f, kcal/mol:	-127.65
Dipole, Da:	8.35
IP(EA), eV:	-9.98(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[[3-(4-propan-2-yl-1,3-thiazol-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

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COC1C=CC=C2C1=NC3=C(C2=O)C=C(C=C3C(=O)O)F

DOS

IR

Vibrations