Geometry & MOs

Info

ID:	237310
PubChem CID:	92718135
Reduced:	N2Cl3O4H15C22 (1)
Stoich.:	A2B3C4D15E22 (1)
Weight, g/mol:	476.1139
ΔH_f, kcal/mol:	-76.55
Dipole, Da:	2.53
IP(EA), eV:	-8.74(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate

Drug info:

PubChemData

Smile

C1[C@@H](N(C2=CC=CC=C2O1)C(=O)COC(=O)C3=NC=C(C(=C3Cl)Cl)Cl)C4=CC=CC=C4

DOS

IR

Vibrations