Geometry & MOs

Info

ID:	358082
PubChem CID:	127295627
Reduced:	ClSO2N3C17H22 (1)
Stoich.:	ABC2D3E17F22 (1)
Weight, g/mol:	312.161997
ΔH_f, kcal/mol:	-36.4
Dipole, Da:	5.33
IP(EA), eV:	-8.94(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-ylazepane

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)S(=O)(=O)C3=CC(=C(C=C3)C#N)Cl

DOS

IR

Vibrations