Geometry & MOs

Info

ID:	305145
PubChem CID:	124766577
Reduced:	O6C19H24 (1)
Stoich.:	A6B19C24 (1)
Weight, g/mol:	323.115758
ΔH_f, kcal/mol:	-232.63
Dipole, Da:	5.82
IP(EA), eV:	-8.65(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1S,2R,6S,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzoate

Drug info:

PubChemData

Smile

CC(=O)[C@H]1[C@H]([C@H]([C@@](CC1=O)(C)O)C(=O)C)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations