Geometry & MOs

Info

ID:	209957
PubChem CID:	80743247
Reduced:	SN2O3C15H26 (1)
Stoich.:	AB2C3D15E26 (1)
Weight, g/mol:	288.150764
ΔH_f, kcal/mol:	-174.44
Dipole, Da:	3.16
IP(EA), eV:	-8.79(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl-[(2-methylthiolan-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1(CCCS1)CNC(=O)N2CCCC(C2)CCC(=O)O

DOS

IR

Vibrations