Geometry & MOs

Info

ID:	86408
PubChem CID:	49885324
Reduced:	SN3O4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	478.063317
ΔH_f, kcal/mol:	-74.82
Dipole, Da:	4.99
IP(EA), eV:	-8.8(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=CC=CC=C2C(=O)O)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations