Geometry & MOs

Info

ID:	140361
PubChem CID:	52686704
Reduced:	N3S3O4C16H19 (1)
Stoich.:	A3B3C4D16E19 (1)
Weight, g/mol:	384.142011
ΔH_f, kcal/mol:	-55.96
Dipole, Da:	10.11
IP(EA), eV:	-8.71(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-N-methyl-2-[[4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3CC3)C4CC4)S(=O)(=O)C

DOS

IR

Vibrations