Geometry & MOs

Info

ID:	174755
PubChem CID:	75810812
Reduced:	ClN3O3H16C19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	386.106706
ΔH_f, kcal/mol:	-39.17
Dipole, Da:	3.04
IP(EA), eV:	-9.46(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=NN3

DOS

IR

Vibrations