Geometry & MOs

Info

ID:	27094
PubChem CID:	814302
Reduced:	SO2N4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	301.065176
ΔH_f, kcal/mol:	-31.32
Dipole, Da:	4.54
IP(EA), eV:	-9.36(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-chloro-N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide

Drug info:

PubChemData

Smile

CN(C)C(=O)N(CC1CC1)CC(=O)NC2=NC=CS2

DOS

IR

Vibrations