Geometry & MOs

Info

ID:	401278
PubChem CID:	135050774
Reduced:	NO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	411.062402
ΔH_f, kcal/mol:	-128.12
Dipole, Da:	5.93
IP(EA), eV:	-9.17(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-oxo-4-(2,3,4-trimethoxyphenyl)-2-oxa-7-thia-1-azabicyclo[2.2.1]hept-5-ene-5,6-dicarboxylate

Drug info:

PubChemData

Smile

CCO/C(=C\1/C(=O)N=C(O1)C2=C(C=C(C=C2C)C)C)/O

DOS

IR

Vibrations