Geometry & MOs

Info

ID:	49591
PubChem CID:	11533324
Reduced:	ClFON4C28H32 (1)
Stoich.:	ABCD4E28F32 (1)
Weight, g/mol:	495.065774
ΔH_f, kcal/mol:	-46.22
Dipole, Da:	3.79
IP(EA), eV:	-8.41(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxycarbonyl-N-methyl-5,6-bis(methylsulfonyloxy)-3-phenylinden-1-imine oxide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1N(C)CCC2=CC=CC=C2)NC3CCC(CC3)NC(=O)C4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations