Geometry & MOs

Info

ID:	272213
PubChem CID:	103735742
Reduced:	ClOSN3C11H20 (1)
Stoich.:	ABCD3E11F20 (1)
Weight, g/mol:	241.124883
ΔH_f, kcal/mol:	-72.95
Dipole, Da:	4.74
IP(EA), eV:	-9.44(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC)NCC1=CSC(=N1)C(C)C.Cl

DOS

IR

Vibrations