Geometry & MOs

Info

ID:	86443
PubChem CID:	49885584
Reduced:	S2O3N6C24H30 (1)
Stoich.:	A2B3C6D24E30 (1)
Weight, g/mol:	530.144633
ΔH_f, kcal/mol:	-5.89
Dipole, Da:	0.82
IP(EA), eV:	-8.91(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=NN=C(S1)CC(C)C)SC2=NN=C(N2CC=C)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations