Geometry & MOs

Info

ID:	430014
PubChem CID:	135170071
Reduced:	NO14C46H63 (1)
Stoich.:	AB14C46D63 (1)
Weight, g/mol:	247.100857
ΔH_f, kcal/mol:	-624.21
Dipole, Da:	10.62
IP(EA), eV:	-8.92(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

aziridin-1-yl-[4-[cyclobutylidene(hydroxy)methyl]-2-fluorophenyl]methanone

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)CCC6(CCCCCCCCCCCCCC6)C(O)O)O

DOS

IR

Vibrations