Geometry & MOs

Info

ID:	155735
PubChem CID:	56367271
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	469.167142
ΔH_f, kcal/mol:	-81.97
Dipole, Da:	2.86
IP(EA), eV:	-9.48(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dioxoisoindol-2-yl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=C/C(=O)NCC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations