Geometry & MOs

Info

ID:	392827
PubChem CID:	135018129
Reduced:	NOCl2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	364.11223
ΔH_f, kcal/mol:	-14.59
Dipole, Da:	2.01
IP(EA), eV:	-9.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z,2R)-3,3-difluoro-2,5-dihydroxy-4-phenylmethoxypent-4-enyl] benzoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC=C2C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations