Geometry & MOs

Info

ID:	308336
PubChem CID:	125326231
Reduced:	ClN2O8C27H33 (1)
Stoich.:	AB2C8D27E33 (1)
Weight, g/mol:	548.192544
ΔH_f, kcal/mol:	-305.65
Dipole, Da:	6.35
IP(EA), eV:	-8.48(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-[2-[2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxoethyl]-2-hydroxybutanedioic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCOCCOC(=O)C[C@](CC(=O)O)(C(=O)O)O)[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations