Geometry & MOs

Info

ID:	237199
PubChem CID:	92717867
Reduced:	OSN5C26H27 (1)
Stoich.:	ABC5D26E27 (1)
Weight, g/mol:	476.1139
ΔH_f, kcal/mol:	73.82
Dipole, Da:	5.06
IP(EA), eV:	-9.04(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3C)C4=CN=CC=C4

DOS

IR

Vibrations