Geometry & MOs

Info

ID:	390831
PubChem CID:	135001164
Reduced:	NSO2C23H33 (1)
Stoich.:	ABC2D23E33 (1)
Weight, g/mol:	259.178358
ΔH_f, kcal/mol:	-79.61
Dipole, Da:	5.46
IP(EA), eV:	-9.34(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC(C)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations