Geometry & MOs

Info

ID:	79897
PubChem CID:	49831109
Reduced:	O4N6C25H28 (1)
Stoich.:	A4B6C25D28 (1)
Weight, g/mol:	406.006967
ΔH_f, kcal/mol:	-50.87
Dipole, Da:	3.48
IP(EA), eV:	-8.89(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-carboxy-1-(1-carboxy-1-chloroethoxy)ethoxy]-2-(1-carboxy-1-chloroethoxy)propanoic acid

Drug info:

PubChemData

Smile

C[C@H]1COCCN1C2=C3CCC4(CC4)OC3=NC(=N2)C5=CC=C(C=C5)NC(=O)NC6=NC(=CO6)C

DOS

IR

Vibrations