Geometry & MOs

Info

ID:	196202
PubChem CID:	78797449
Reduced:	SO2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	424.193297
ΔH_f, kcal/mol:	36.32
Dipole, Da:	1.38
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4C

DOS

IR

Vibrations