Geometry & MOs

Info

ID:	446811
PubChem CID:	135277890
Reduced:	F2N2O7C24H24 (1)
Stoich.:	A2B2C7D24E24 (1)
Weight, g/mol:	436.199822
ΔH_f, kcal/mol:	-327.07
Dipole, Da:	8.58
IP(EA), eV:	-9.48(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,6-dioxo-5-phenylmethoxy-2,9-diazatetracyclo[10.3.2.02,11.04,9]heptadeca-4,7-diene-7-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)OC1=C2C(=O)[C@]3(CCCO[C@H]3CN2C=C(C1=O)C(=O)NCC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations