Geometry & MOs

Info

ID:	243873
PubChem CID:	99289531
Reduced:	S2N3O4H17C20 (1)
Stoich.:	A2B3C4D17E20 (1)
Weight, g/mol:	404.148455
ΔH_f, kcal/mol:	-76.4
Dipole, Da:	5.68
IP(EA), eV:	-8.94(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]ethyl]-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)NC(=O)CC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4)C(=O)N1

DOS

IR

Vibrations