Geometry & MOs

Info

ID:	14174
PubChem CID:	405807
Reduced:	N2P2F5O7C16H23 (1)
Stoich.:	A2B2C5D7E16F23 (1)
Weight, g/mol:	512.090066
ΔH_f, kcal/mol:	-635.49
Dipole, Da:	5.62
IP(EA), eV:	-9.08(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azane;[3,7-dimethyl-8-(2,3,4,5,6-pentafluoroanilino)octa-2,6-dienyl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CC(=CCOP(=O)(O)OP(=O)(O)O)CCC=C(C)CNC1=C(C(=C(C(=C1F)F)F)F)F.N

DOS

IR

Vibrations