Geometry & MOs

Info

ID:	231668
PubChem CID:	87574414
Reduced:	NO5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-175.98
Dipole, Da:	2.72
IP(EA), eV:	-9.82(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-isocyanato-3-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-phenylmethoxypropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)O[C@@](C1=CC=CC=C1)([C@H](C(=O)O)OCC2=CC=CC=C2)NC=O

DOS

IR

Vibrations