Geometry & MOs

Info

ID:	213918
PubChem CID:	81065549
Reduced:	NSO6C13H17 (1)
Stoich.:	ABC6D13E17 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-230.21
Dipole, Da:	6.58
IP(EA), eV:	-10.2(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylcarbamoylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNS(=O)(=O)C1=CC=CC=C1C(=O)OC

DOS

IR

Vibrations