Geometry & MOs

Info

ID:	86260
PubChem CID:	49883597
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	464.047667
ΔH_f, kcal/mol:	-93.87
Dipole, Da:	4.02
IP(EA), eV:	-9.02(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)OC)C2COC3=CC=CC=C3O2

DOS

IR

Vibrations