Geometry & MOs

Info

ID:	412260
PubChem CID:	135085144
Reduced:	OPCl2N2F4H27C44 (1)
Stoich.:	ABC2D2E4F27G44 (1)
Weight, g/mol:	382.151274
ΔH_f, kcal/mol:	-62.56
Dipole, Da:	4.95
IP(EA), eV:	-8.72(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)N3[C@@H]([C@H](N=C3C4=CC=CC=C4P(C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)C7=CC(=CC(=C7)F)F)C8=CC(=CC(=C8)F)F

DOS

IR

Vibrations