Geometry & MOs

Info

ID:	85978
PubChem CID:	49880794
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	459.103497
ΔH_f, kcal/mol:	-25.93
Dipole, Da:	5.83
IP(EA), eV:	-8.78(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2C)C3(COC4=CC=CC=C4O3)C

DOS

IR

Vibrations