Geometry & MOs

Info

ID:	86136
PubChem CID:	49882134
Reduced:	FSO3N4C23H23 (1)
Stoich.:	ABC3D4E23F23 (1)
Weight, g/mol:	490.063317
ΔH_f, kcal/mol:	-60.23
Dipole, Da:	7.48
IP(EA), eV:	-8.79(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dichlorophenyl)-2-[[5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3CC=C)SC(C)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations