Geometry & MOs

Info

ID:	51312
PubChem CID:	12013958
Reduced:	NO3H21C25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	365.126323
ΔH_f, kcal/mol:	-2.7
Dipole, Da:	2.86
IP(EA), eV:	-8.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,5R)-3-(6-methyl-4-oxochromen-3-yl)-2-phenyl-1,2-oxazolidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC=C(C2=O)[C@@H]3C[C@@H](ON3C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations