Geometry & MOs

Info

ID:	161862
PubChem CID:	57392874
Reduced:	ClNSO4C19H20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	404.104208
ΔH_f, kcal/mol:	-130.61
Dipole, Da:	7.78
IP(EA), eV:	-9.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methoxyphenoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1COC2=C(C=C(C=C2)S(=O)(=O)C)[C@@H](N1C(=O)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations