Geometry & MOs

Info

ID:	271801
PubChem CID:	103692780
Reduced:	OSN3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	256.088164
ΔH_f, kcal/mol:	6.55
Dipole, Da:	4.01
IP(EA), eV:	-8.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CN=C(S1)CNC(=O)C2=CC3=C(C=C2)NC(=C3C)C

DOS

IR

Vibrations