Geometry & MOs

Info

ID:	298105
PubChem CID:	117647536
Reduced:	NPSCl2O4C19H22 (1)
Stoich.:	ABCD2E4F19G22 (1)
Weight, g/mol:	409.103887
ΔH_f, kcal/mol:	-229.75
Dipole, Da:	2.8
IP(EA), eV:	-9.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[(5-nitropyridin-2-yl)oxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)S[P@](=O)(N[C@@H](C)C(=O)OC(C)C)OC2=CC=CC=C2)Cl

DOS

IR

Vibrations