Geometry & MOs

Info

ID:	342618
PubChem CID:	127265778
Reduced:	FNSO4C16H22 (1)
Stoich.:	ABCD4E16F22 (1)
Weight, g/mol:	312.104482
ΔH_f, kcal/mol:	-216.8
Dipole, Da:	3.36
IP(EA), eV:	-9.53(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC2(CCS(=O)(=O)CC2)CC(=O)OC)F

DOS

IR

Vibrations