Geometry & MOs

Info

ID:	34337
PubChem CID:	7890830
Reduced:	SCl2N2O5C14H16 (1)
Stoich.:	AB2C2D5E14F16 (1)
Weight, g/mol:	393.121237
ΔH_f, kcal/mol:	-173.5
Dipole, Da:	3.93
IP(EA), eV:	-9.37(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)[C@H]2CC2(Cl)Cl

DOS

IR

Vibrations