Geometry & MOs

Info

ID:	85644
PubChem CID:	49877835
Reduced:	ClFON2H22C26 (1)
Stoich.:	ABCD2E22F26 (1)
Weight, g/mol:	403.153206
ΔH_f, kcal/mol:	0.32
Dipole, Da:	3.52
IP(EA), eV:	-9.01(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[[(Z)-(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoyl]phenyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)F)/C(=O)N2C4=CC=C(C=C4)Cl

DOS

IR

Vibrations