Geometry & MOs

Info

ID:	179571
PubChem CID:	76501691
Reduced:	PN5O6C18H38 (1)
Stoich.:	AB5C6D18E38 (1)
Weight, g/mol:	515.303559
ΔH_f, kcal/mol:	-367.95
Dipole, Da:	4.04
IP(EA), eV:	-9.46(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[6-[cyclohexyl-(methoxyamino)methylidene]-4-(4-phenylphenyl)-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCC(NC(CC(C)C)C(=O)NCC(=O)NCCCCC(C(=O)NC)N)P(=O)(O)O

DOS

IR

Vibrations