Geometry & MOs

Info

ID:	86327
PubChem CID:	49884102
Reduced:	S2O4N5C25H29 (1)
Stoich.:	A2B4C5D25E29 (1)
Weight, g/mol:	478.063317
ΔH_f, kcal/mol:	-103.41
Dipole, Da:	5.96
IP(EA), eV:	-8.71(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-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=C1SC(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C4(COC5=CC=CC=C5O4)C

DOS

IR

Vibrations