Geometry & MOs

Info

ID:	36263
PubChem CID:	7983099
Reduced:	NO6C20H23 (1)
Stoich.:	AB6C20D23 (1)
Weight, g/mol:	408.120903
ΔH_f, kcal/mol:	-228.61
Dipole, Da:	9.02
IP(EA), eV:	-9.24(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]oxymethyl]benzoate

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)COC(=O)COC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2

DOS

IR

Vibrations