Geometry & MOs

Info

ID:	237070
PubChem CID:	92717149
Reduced:	O2N4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	462.098249
ΔH_f, kcal/mol:	-28.73
Dipole, Da:	4.13
IP(EA), eV:	-8.64(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C[C@@H](CC2=O)C3=NC4=CC=CC=C4N3CCN5CCOCC5

DOS

IR

Vibrations