Geometry & MOs

Info

ID:	392690
PubChem CID:	135017646
Reduced:	ORhP2C14H24 (1)
Stoich.:	ABC2D14E24 (1)
Weight, g/mol:	345.157623
ΔH_f, kcal/mol:	157.24
Dipole, Da:	13.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.808673
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(R)-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(4-methylphenyl)methyl]carbamate

Drug info:

PubChemData

Smile

[CH3-].CC(C)(CC(=O)C=C)C1=CC=CC=[C-]1.P.P.[Rh+2]

DOS

IR

Vibrations