Geometry & MOs

Info

ID:	86120
PubChem CID:	49882011
Reduced:	SN4O5C22H24 (1)
Stoich.:	AB4C5D22E24 (1)
Weight, g/mol:	526.063317
ΔH_f, kcal/mol:	-93.41
Dipole, Da:	0.89
IP(EA), eV:	-8.26(-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-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3C)SCC(=O)NC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations