Geometry & MOs

Info

ID:	181611
PubChem CID:	76766080
Reduced:	NSCl2O7C24H25 (1)
Stoich.:	ABC2D7E24F25 (1)
Weight, g/mol:	469.051749
ΔH_f, kcal/mol:	-264.32
Dipole, Da:	2.4
IP(EA), eV:	-8.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)sulfonyl-4-methylazepane-2,6-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)CC2CCC(=O)C(N(C2=O)S(=O)(=O)C3=CC=C(C=C3)Cl)CCC(=O)OC

DOS

IR

Vibrations