Geometry & MOs

Info

ID:	86324
PubChem CID:	49884091
Reduced:	SO3N4C29H30 (1)
Stoich.:	AB3C4D29E30 (1)
Weight, g/mol:	503.129711
ΔH_f, kcal/mol:	-2.98
Dipole, Da:	8.2
IP(EA), eV:	-8.93(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[[2-[[4-ethyl-5-(3-methyl-2H-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C4(COC5=CC=CC=C5O4)C

DOS

IR

Vibrations