Geometry & MOs

Info

ID:	174272
PubChem CID:	75746947
Reduced:	SN3O5C21H29 (1)
Stoich.:	AB3C5D21E29 (1)
Weight, g/mol:	441.11252
ΔH_f, kcal/mol:	-217.24
Dipole, Da:	8.21
IP(EA), eV:	-9.55(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCNC(=O)CCN2C(=O)C3CCCCC3C2=O

DOS

IR

Vibrations