Geometry & MOs

Info

ID:	237988
PubChem CID:	92728689
Reduced:	S2N3O3C23H27 (1)
Stoich.:	A2B3C3D23E27 (1)
Weight, g/mol:	442.203862
ΔH_f, kcal/mol:	-88.18
Dipole, Da:	5.81
IP(EA), eV:	-8.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-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

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H](CCSC)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O

DOS

IR

Vibrations