Geometry & MOs

Info

ID:	195289
PubChem CID:	78669809
Reduced:	SO2N4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	328.056088
ΔH_f, kcal/mol:	-25.57
Dipole, Da:	5.89
IP(EA), eV:	-8.83(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)SC(C)C(=O)NCC2=CC=C(C=C2)OC

DOS

IR

Vibrations