Geometry & MOs

Info

ID:	237989
PubChem CID:	92728691
Reduced:	SO3N4C23H30 (1)
Stoich.:	AB3C4D23E30 (1)
Weight, g/mol:	442.203862
ΔH_f, kcal/mol:	-98.2
Dipole, Da:	9.13
IP(EA), eV:	-8.47(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-4-methylsulfanyl-N-(1-propylbenzimidazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N=C1NC(=O)[C@@H](CCSC)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O

DOS

IR

Vibrations