Geometry & MOs

Info

ID:	86323
PubChem CID:	49884090
Reduced:	SN4O5C25H28 (1)
Stoich.:	AB4C5D25E28 (1)
Weight, g/mol:	514.203862
ΔH_f, kcal/mol:	-127.13
Dipole, Da:	9.1
IP(EA), eV:	-9.14(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dibenzyl-2-[[4-ethyl-5-(3-methyl-2H-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C)C3(COC4=CC=CC=C4O3)C

DOS

IR

Vibrations