Geometry & MOs

Info

ID:	403482
PubChem CID:	135060481
Reduced:	OC10H18 (1)
Stoich.:	AB10C18 (1)
Weight, g/mol:	245.162708
ΔH_f, kcal/mol:	-37.15
Dipole, Da:	2.41
IP(EA), eV:	-10.21(2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R,4R)-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC1(C[C@@]12CC2CO)CC

DOS

IR

Vibrations