Geometry & MOs

Info

ID:	86418
PubChem CID:	49885374
Reduced:	SO3N4C24H26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	444.102289
ΔH_f, kcal/mol:	-22.18
Dipole, Da:	3.05
IP(EA), eV:	-8.43(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[[4-ethyl-5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations