Geometry & MOs

Info

ID:	217755
PubChem CID:	85088331
Reduced:	FOSN3C22H22 (1)
Stoich.:	ABCD3E22F22 (1)
Weight, g/mol:	395.303559
ΔH_f, kcal/mol:	4.94
Dipole, Da:	3.97
IP(EA), eV:	-8.76(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-4-methyl-1-octadecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one

Drug info:

PubChemData

Smile

CC12CC3=C(C=C1CCCC2C(C4=NC=CS4)O)N(N=C3)C5=CC=C(C=C5)F

DOS

IR

Vibrations