Geometry & MOs

Info

ID:	283719
PubChem CID:	104001301
Reduced:	N2O3C15H26 (1)
Stoich.:	A2B3C15D26 (1)
Weight, g/mol:	322.156243
ΔH_f, kcal/mol:	-158.59
Dipole, Da:	7.0
IP(EA), eV:	-9.86(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-tert-butylsulfonylethylcarbamoylamino)-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1(CC1CNC(=O)NC(C2CCCCC2)C(=O)O)C

DOS

IR

Vibrations