Geometry & MOs

Info

ID:	165286
PubChem CID:	74526807
Reduced:	ON3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	396.125612
ΔH_f, kcal/mol:	-74.7
Dipole, Da:	3.7
IP(EA), eV:	-8.76(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(2-ethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)N2C(=C(C(=N2)C)CCC(=O)N3CCN(CC3)C)C

DOS

IR

Vibrations