Geometry & MOs

Info

ID:	429689
PubChem CID:	135169740
Reduced:	ClON5C9H10 (1)
Stoich.:	ABC5D9E10 (1)
Weight, g/mol:	483.083762
ΔH_f, kcal/mol:	67.54
Dipole, Da:	4.51
IP(EA), eV:	-9.02(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-4-yl)-N-[5-cyano-6-(1,5-dihydrotriazol-2-yl)pyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=N1)C2=C(C=C(C=N2)NOC)Cl

DOS

IR

Vibrations