Geometry & MOs

Info

ID:	371764
PubChem CID:	131271578
Reduced:	ClNOF2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	235.021163
ΔH_f, kcal/mol:	-134.41
Dipole, Da:	1.62
IP(EA), eV:	-9.77(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-amino-2-(3-chloro-2,6-difluorophenyl)acetate

Drug info:

PubChemData

Smile

C[C@](CCO)(C1=CC(=C(C=C1Cl)F)F)N

DOS

IR

Vibrations