Geometry & MOs

Info

ID:	283736
PubChem CID:	104002677
Reduced:	SN2O3C14H26 (1)
Stoich.:	AB2C3D14E26 (1)
Weight, g/mol:	276.150764
ΔH_f, kcal/mol:	-170.8
Dipole, Da:	3.82
IP(EA), eV:	-8.6(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylsulfanylpropan-2-ylcarbamoylamino)-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CCSC1CCC(C1)NC(=O)N[C@@H](CC(C)C)C(=O)O

DOS

IR

Vibrations