Geometry & MOs

Info

ID:	307362
PubChem CID:	125299683
Reduced:	ClFO2N3H15C19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	424.272593
ΔH_f, kcal/mol:	-17.54
Dipole, Da:	4.67
IP(EA), eV:	-9.41(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5R,8R,9R,12S,14R)-4-[(4-benzylpiperazin-1-yl)methyl]-8,12-dimethyl-2,13-dioxatetracyclo[7.5.0.01,5.012,14]tetradecan-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=C(C(=O)N=N2)[C@@H](CC(=O)N)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations