Geometry & MOs

Info

ID:	392979
PubChem CID:	135018760
Reduced:	N3O7C11H15 (1)
Stoich.:	A3B7C11D15 (1)
Weight, g/mol:	440.125988
ΔH_f, kcal/mol:	-285.45
Dipole, Da:	3.53
IP(EA), eV:	-10.23(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,11R,12R)-22-oxo-12-phenyl-9,13,21-trioxapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),3,5,7,15,17,19-heptaene-11-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@H]([C@@H]1C(C([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N

DOS

IR

Vibrations