Geometry & MOs

Info

ID:	185275
PubChem CID:	77279717
Reduced:	ClO2S2N5H20C23 (1)
Stoich.:	AB2C2D5E20F23 (1)
Weight, g/mol:	432.093382
ΔH_f, kcal/mol:	24.08
Dipole, Da:	3.29
IP(EA), eV:	-9.14(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[2-carboxy-2-(phenacylamino)ethoxy]-hydroxyphosphoryl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC1C(=O)N(CCN1C(=O)C2=CC=C(S2)C3=CC=C(S3)Cl)CC4=CC5=C(C=C4)C(=NC=N5)N

DOS

IR

Vibrations