Geometry & MOs

Info

ID:	436057
PubChem CID:	135193628
Reduced:	SN3O3F5H20C27 (1)
Stoich.:	AB3C3D5E20F27 (1)
Weight, g/mol:	608.174743
ΔH_f, kcal/mol:	-270.13
Dipole, Da:	7.65
IP(EA), eV:	-9.36(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-[2,3-di(propanoyloxy)propoxycarbonylamino]pentoxycarbonylamino]-1-hydroxy-1-phosphonobutyl]phosphonic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=C(C=CC(=C2)C(F)(F)F)[C@H]3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC(=CC=C5)F)F

DOS

IR

Vibrations