Geometry & MOs

Info

ID:	200306
PubChem CID:	79376427
Reduced:	OSN4C12H18 (1)
Stoich.:	ABC4D12E18 (1)
Weight, g/mol:	253.088498
ΔH_f, kcal/mol:	-9.21
Dipole, Da:	5.7
IP(EA), eV:	-9.14(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]butanoate

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CCNC1=C(C(=NS1)C)C#N

DOS

IR

Vibrations