Geometry & MOs

Info

ID:	283704
PubChem CID:	104000322
Reduced:	SN2O3C11H20 (1)
Stoich.:	AB2C3D11E20 (1)
Weight, g/mol:	287.184506
ΔH_f, kcal/mol:	-140.4
Dipole, Da:	4.55
IP(EA), eV:	-9.12(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)O)NC(=O)NCCSCC=C

DOS

IR

Vibrations