Geometry & MOs

Info

ID:	231826
PubChem CID:	87574731
Reduced:	NO4H25C28 (1)
Stoich.:	AB4C25D28 (1)
Weight, g/mol:	437.162708
ΔH_f, kcal/mol:	-65.12
Dipole, Da:	4.53
IP(EA), eV:	-9.04(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-isocyanato-3-naphthalen-2-yl-2,3-bis(phenylmethoxy)propanal

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO[C@@H](C=O)[C@H](C2=CC3=CC=CC=C3C=C2)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations