Geometry & MOs

Info

ID:	444978
PubChem CID:	135264145
Reduced:	NPO9C20H24 (1)
Stoich.:	ABC9D20E24 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-408.97
Dipole, Da:	4.11
IP(EA), eV:	-9.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4aS,7aS)-7-[[(2S)-2-(methylamino)-3-phenylpropanoyl]oxymethyl]-1-oxo-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=COC([C@@H]2C1CC=C2COC(=O)C(CC3=CC=CC=C3)N)OP(=O)(O)O

DOS

IR

Vibrations