Geometry & MOs

Info

ID:	370815
PubChem CID:	127340644
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	375.252192
ΔH_f, kcal/mol:	-121.25
Dipole, Da:	9.11
IP(EA), eV:	-8.71(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-cyclopentyl-1,4-diazepan-1-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCN(CC2)C3CCCC3

DOS

IR

Vibrations