Geometry & MOs

Info

ID:	86252
PubChem CID:	49883494
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	536.118812
ΔH_f, kcal/mol:	-49.43
Dipole, Da:	2.85
IP(EA), eV:	-8.98(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-phenylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)N2CCCC2)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations