Geometry & MOs

Info

ID:	130569
PubChem CID:	51091302
Reduced:	ClN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	345.043771
ΔH_f, kcal/mol:	-134.49
Dipole, Da:	3.67
IP(EA), eV:	-8.81(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-1-yl)-2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfonyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=O)N(C=C2)C)Cl

DOS

IR

Vibrations