Geometry & MOs

Info

ID:	390243
PubChem CID:	134997989
Reduced:	ClFPN2O2H18C21 (2)
Stoich.:	ABCD2E2F18G21 (2)
Weight, g/mol:	254.206592
ΔH_f, kcal/mol:	-81.22
Dipole, Da:	10.99
IP(EA), eV:	-9.02(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(CCC2N1OC(=N2)C3=C(C(=C(C(=C3Cl)F)F)Cl)C4=NC5CCC(N5O4)(C)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7)P(=O)(C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations