Geometry & MOs

Info

ID:	132165
PubChem CID:	51315162
Reduced:	ClFSO2N3H15C17 (1)
Stoich.:	ABCD2E3F15G17 (1)
Weight, g/mol:	399.114983
ΔH_f, kcal/mol:	-60.06
Dipole, Da:	5.72
IP(EA), eV:	-9.5(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(4-oxocinnolin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CC1N(CC2=C(C=CC=C2Cl)F)C(=O)C3=CN=C4N(C3=O)CCS4

DOS

IR

Vibrations