Geometry & MOs

Info

ID:	86267
PubChem CID:	49883612
Reduced:	SN4O5C23H26 (1)
Stoich.:	AB4C5D23E26 (1)
Weight, g/mol:	467.162725
ΔH_f, kcal/mol:	-107.52
Dipole, Da:	8.47
IP(EA), eV:	-8.58(-0.69)
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-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=C(C=C2)OC)OC)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations