Geometry & MOs

Info

ID:	237932
PubChem CID:	92722857
Reduced:	ClSO3N4C25H27 (1)
Stoich.:	ABC3D4E25F27 (1)
Weight, g/mol:	458.184172
ΔH_f, kcal/mol:	-74.0
Dipole, Da:	4.23
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CC(=O)N5CSC[C@@H]5C4=O

DOS

IR

Vibrations