Geometry & MOs

Info

ID:	438512
PubChem CID:	135228254
Reduced:	ClO2N4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	354.099587
ΔH_f, kcal/mol:	-21.71
Dipole, Da:	2.84
IP(EA), eV:	-8.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-(16-chloro-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl)-4-ethyl-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

COC/C(=C/1\CC(=O)NC2=C(N1N)C=C(C=C2)Cl)/N

DOS

IR

Vibrations