Geometry & MOs

Info

ID:	150500
PubChem CID:	53790192
Reduced:	ClF2C38H49 (1)
Stoich.:	AB2C38D49 (1)
Weight, g/mol:	386.124288
ΔH_f, kcal/mol:	-128.87
Dipole, Da:	4.07
IP(EA), eV:	-8.95(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,4-diamino-2-(2-benzoyloxyethyl)-5-ethoxy-5-oxopent-2-enyl]phosphonic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)CCC2CCC(CC2)CCC3=CC(=C(C=C3)CCC4=CC(=C(C=C4)Cl)F)F

DOS

IR

Vibrations