Geometry & MOs

Info

ID:	406607
PubChem CID:	135078159
Reduced:	NO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	357.121237
ΔH_f, kcal/mol:	-67.94
Dipole, Da:	5.55
IP(EA), eV:	-9.54(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5S,6R)-3-(2-formyl-6-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydro-5H-1,2-benzoxazole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(=O)C1)C(=NO2)C3=C(C=CC=C3OC)C=O

DOS

IR

Vibrations