Geometry & MOs

Info

ID:	83910
PubChem CID:	49862388
Reduced:	FOSN3H10C14 (1)
Stoich.:	ABCD3E10F14 (1)
Weight, g/mol:	423.103062
ΔH_f, kcal/mol:	28.55
Dipole, Da:	2.75
IP(EA), eV:	-9.18(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[4-[(2,6-difluorobenzoyl)carbamoylamino]phenyl]methylideneamino] benzoate

Drug info:

PubChemData

Smile

C1CC1C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)C#N)F

DOS

IR

Vibrations