Geometry & MOs

Info

ID:	130649
PubChem CID:	51091890
Reduced:	ON7C15H15 (1)
Stoich.:	AB7C15D15 (1)
Weight, g/mol:	324.044775
ΔH_f, kcal/mol:	65.92
Dipole, Da:	6.17
IP(EA), eV:	-9.2(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloroanilino)-2-oxoethyl]-4-ethylthiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=C(C=CC=N2)CNC(=O)C3=NC=CN=C3N

DOS

IR

Vibrations