Geometry & MOs

Info

ID:	448352
PubChem CID:	135290315
Reduced:	BrClNO8C17H19 (1)
Stoich.:	ABCD8E17F19 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-320.21
Dipole, Da:	8.45
IP(EA), eV:	-9.63(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxy-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid

Drug info:

PubChemData

Smile

COCCCOC1=C(C=C(C(=C1)[C@H]2CCC(N2C(=O)O)(C(=O)O)C(=O)O)Br)Cl

DOS

IR

Vibrations