Geometry & MOs

Info

ID:	182488
PubChem CID:	76894054
Reduced:	SN2O3C11H22 (1)
Stoich.:	AB2C3D11E22 (1)
Weight, g/mol:	248.119464
ΔH_f, kcal/mol:	-161.87
Dipole, Da:	6.15
IP(EA), eV:	-9.73(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-4-methylsulfanylbutanoyl)-propan-2-ylamino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NCC1CCS(=O)(=O)C1)N

DOS

IR

Vibrations