Geometry & MOs

Info

ID:	244506
PubChem CID:	99355792
Reduced:	SN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	410.157661
ΔH_f, kcal/mol:	-157.14
Dipole, Da:	8.65
IP(EA), eV:	-9.22(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H]1C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations