Geometry & MOs

Info

ID:	237947
PubChem CID:	92722986
Reduced:	SO2N3C27H29 (1)
Stoich.:	AB2C3D27E29 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-11.51
Dipole, Da:	4.16
IP(EA), eV:	-8.73(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(3-methoxypropyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C[C@H](C2=CC=CS2)N3CC4=CC=CC=C4C3=O)CC5=CC=CC=C5

DOS

IR

Vibrations