Geometry & MOs

Info

ID:	237957
PubChem CID:	92723103
Reduced:	O2N3H21C23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-8.16
Dipole, Da:	9.12
IP(EA), eV:	-8.84(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(3R)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](CC(=O)NC2=CN=CC=C2)N3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations