Geometry & MOs

Info

ID:	86190
PubChem CID:	49882514
Reduced:	SO3N6H20C24 (1)
Stoich.:	AB3C6D20E24 (1)
Weight, g/mol:	450.172562
ΔH_f, kcal/mol:	58.73
Dipole, Da:	4.12
IP(EA), eV:	-8.85(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

C=CCN1C(=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4COC5=CC=CC=C5O4

DOS

IR

Vibrations