Geometry & MOs

Info

ID:	68871
PubChem CID:	46510654
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	456.081364
ΔH_f, kcal/mol:	-132.96
Dipole, Da:	7.29
IP(EA), eV:	-8.76(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

DOS

IR

Vibrations