Geometry & MOs

Info

ID:	162416
PubChem CID:	57394595
Reduced:	ON4C10H12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	422.070321
ΔH_f, kcal/mol:	12.55
Dipole, Da:	0.88
IP(EA), eV:	-8.9(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenoxy)-N-[(6R)-1-hydroxy-3-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC(=NN12)NC(=O)C)C

DOS

IR

Vibrations