Geometry & MOs

Info

ID:	85963
PubChem CID:	49880680
Reduced:	SN3O4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	501.147075
ΔH_f, kcal/mol:	-68.59
Dipole, Da:	6.89
IP(EA), eV:	-8.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations