Geometry & MOs

Info

ID:	324130
PubChem CID:	126676977
Reduced:	ClO4C5H7 (1)
Stoich.:	AB4C5D7 (1)
Weight, g/mol:	515.122429
ΔH_f, kcal/mol:	-182.03
Dipole, Da:	3.47
IP(EA), eV:	-10.94(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[[[(2R)-3-chloro-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)ethoxy]propoxy]-phenoxyphosphoryl]amino]but-3-enoate

Drug info:

PubChemData

Smile

C([C@@H]1[C@H](C(C(=O)O1)Cl)O)O

DOS

IR

Vibrations