Geometry & MOs

Info

ID:	361215
PubChem CID:	127302170
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	343.110296
ΔH_f, kcal/mol:	-5.76
Dipole, Da:	7.59
IP(EA), eV:	-9.14(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2CCN(CC2)C(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations