Geometry & MOs

Info

ID:	227276
PubChem CID:	87560999
Reduced:	ON3F9H14C20 (1)
Stoich.:	AB3C9D14E20 (1)
Weight, g/mol:	192.027003
ΔH_f, kcal/mol:	-435.13
Dipole, Da:	4.04
IP(EA), eV:	-9.4(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetyloxycarbonyl 2,3-dihydroxypropanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C2=CC(=C(C=C2)C#N)N)C)C(C(C(F)(F)F)(F)F)(C(F)(F)F)F

DOS

IR

Vibrations