Geometry & MOs

Info

ID:	120979
PubChem CID:	50752509
Reduced:	FS2O3N5C22H26 (1)
Stoich.:	AB2C3D5E22F26 (1)
Weight, g/mol:	469.125375
ΔH_f, kcal/mol:	-99.11
Dipole, Da:	1.36
IP(EA), eV:	-8.72(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2C)C)CN(C3=CC=C(C=C3)F)S(=O)(=O)C

DOS

IR

Vibrations