Geometry & MOs

Info

ID:	264724
PubChem CID:	103486223
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	-78.87
Dipole, Da:	6.58
IP(EA), eV:	-8.79(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]propanoate

Drug info:

PubChemData

Smile

C1CCC(C1)CNC2=NC(=CS2)CCC(=O)O

DOS

IR

Vibrations