Geometry & MOs

Info

ID:	217731
PubChem CID:	85088284
Reduced:	NO8C19H23 (1)
Stoich.:	AB8C19D23 (1)
Weight, g/mol:	393.106851
ΔH_f, kcal/mol:	-271.15
Dipole, Da:	5.01
IP(EA), eV:	-9.47(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-methyl-4,4-bis(methylsulfanyl)-6-oxo-8-phenyl-10-oxa-7-azatricyclo[5.3.0.02,5]decane-5-carboxylate

Drug info:

PubChemData

Smile

CC1(OC2CN3C4=C(C(C(C2O1)(O3)OC)C=O)C(=CC(=C4)C(=O)OC)OC)C

DOS

IR

Vibrations