Geometry & MOs

Info

ID:	86334
PubChem CID:	49884151
Reduced:	SN4O5C23H24 (1)
Stoich.:	AB4C5D23E24 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-116.68
Dipole, Da:	3.73
IP(EA), eV:	-8.98(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-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)C3(COC4=CC=CC=C4O3)C

DOS

IR

Vibrations