Geometry & MOs

Info

ID:	171647
PubChem CID:	75409742
Reduced:	S2N3O6C30H35 (1)
Stoich.:	A2B3C6D30E35 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-154.78
Dipole, Da:	5.97
IP(EA), eV:	-9.03(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,11S)-9-benzyl-12-(2-methoxyacetyl)-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C/3\C(=O)N(/C(=C(/C#N)\C(=O)C(C)(C)C)/S3)CC4CCCO4

DOS

IR

Vibrations