Geometry & MOs

Info

ID:	237945
PubChem CID:	92722950
Reduced:	SN2O4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	390.140199
ΔH_f, kcal/mol:	-88.12
Dipole, Da:	1.39
IP(EA), eV:	-8.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(3,4-dimethylphenyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)C[C@H](C2=CC=CS2)N3CC4=CC=CC=C4C3=O)OC

DOS

IR

Vibrations