Geometry & MOs

Info

ID:	213286
PubChem CID:	81063335
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	265.098394
ΔH_f, kcal/mol:	-123.9
Dipole, Da:	2.84
IP(EA), eV:	-9.46(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(2-methyl-2-methylsulfonylpropanoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)C(=O)NCC(C)CC(=O)O)CC

DOS

IR

Vibrations