Geometry & MOs

Info

ID:	353403
PubChem CID:	127284779
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-122.52
Dipole, Da:	6.53
IP(EA), eV:	-8.42(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(2-oxoazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCCN(C)C3CCCC3

DOS

IR

Vibrations