Geometry & MOs

Info

ID:	156593
PubChem CID:	56371280
Reduced:	FNSO4H18C22 (1)
Stoich.:	ABCD4E18F22 (1)
Weight, g/mol:	358.128589
ΔH_f, kcal/mol:	-134.64
Dipole, Da:	4.84
IP(EA), eV:	-8.91(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylphenyl)-4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)N(S1(=O)=O)CC3=CC=C(C=C3)OCC4=CC=C(C=C4)F

DOS

IR

Vibrations