Geometry & MOs

Info

ID:	37976
PubChem CID:	8026199
Reduced:	S2O3N4C17H18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	362.083747
ΔH_f, kcal/mol:	-24.85
Dipole, Da:	5.5
IP(EA), eV:	-8.84(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)C3=CC=C(S3)CNC(=O)C

DOS

IR

Vibrations