Geometry & MOs

Info

ID:	86000
PubChem CID:	49880935
Reduced:	SN4O5H26C28 (1)
Stoich.:	AB4C5D26E28 (1)
Weight, g/mol:	469.041853
ΔH_f, kcal/mol:	-74.56
Dipole, Da:	9.58
IP(EA), eV:	-9.2(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4COC5=CC=CC=C5O4

DOS

IR

Vibrations