Geometry & MOs

Info

ID:	86356
PubChem CID:	49884421
Reduced:	SO3N4C26H30 (1)
Stoich.:	AB3C4D26E30 (1)
Weight, g/mol:	472.156912
ΔH_f, kcal/mol:	-32.32
Dipole, Da:	4.79
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3-methyl-2H-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=C(C=CC=C1C)C)SC2=NN=C(N2CC=C)C3(COC4=CC=CC=C4O3)C

DOS

IR

Vibrations