Geometry & MOs

Info

ID:	264815
PubChem CID:	103493057
Reduced:	ClNSO3C8H14 (1)
Stoich.:	ABCD3E8F14 (1)
Weight, g/mol:	327.03314
ΔH_f, kcal/mol:	-146.6
Dipole, Da:	5.54
IP(EA), eV:	-8.86(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2,2-dimethylbutanoylamino)-2-iodopropanoate

Drug info:

PubChemData

Smile

COC(=O)C(CNC(=O)CCSC)Cl

DOS

IR

Vibrations