Geometry & MOs

Info

ID:	42018
PubChem CID:	8148155
Reduced:	ClSN3O3C20H22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-98.0
Dipole, Da:	4.31
IP(EA), eV:	-9.04(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@@H](C)N(C)CC3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations