Geometry & MOs

Info

ID:	412202
PubChem CID:	135085077
Reduced:	TiN2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	352.998841
ΔH_f, kcal/mol:	123.23
Dipole, Da:	5.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.013341
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-phenyl-2-[(1,1,1-trichloro-2-methylpropan-2-yl)oxycarbonylamino]acetic acid

Drug info:

PubChemData

Smile

[CH3-].[CH3-].C1=CC=C2C(=C1)C=C[N]2.C1=CC2=C[CH][NH+]=C2C=C1.[Ti+2]

DOS

IR

Vibrations