Geometry & MOs

Info

ID:	361001
PubChem CID:	127301865
Reduced:	SN5O5C14H17 (1)
Stoich.:	AB5C5D14E17 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-157.78
Dipole, Da:	6.39
IP(EA), eV:	-9.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CN2CC(=O)NC2=O)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations