Geometry & MOs

Info

ID:	430772
PubChem CID:	135170839
Reduced:	ClSN3O5C21H24 (1)
Stoich.:	ABC3D5E21F24 (1)
Weight, g/mol:	381.055005
ΔH_f, kcal/mol:	-126.59
Dipole, Da:	4.29
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(5-chloro-2-methoxyphenyl)sulfanylamino]-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid

Drug info:

PubChemData

Smile

COCCOC(=O)N1CC2=C(N=CC(=C2)NSC3=C(C=CC(=C3)Cl)OC)OCC14CC4

DOS

IR

Vibrations