Geometry & MOs

Info

ID:	86253
PubChem CID:	49883539
Reduced:	S2N4O5H24C26 (1)
Stoich.:	A2B4C5D24E26 (1)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	-86.8
Dipole, Da:	6.68
IP(EA), eV:	-8.67(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3C)C4COC5=CC=CC=C5O4

DOS

IR

Vibrations