Geometry & MOs

Info

ID:	358081
PubChem CID:	127295626
Reduced:	SN2O4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	367.112126
ΔH_f, kcal/mol:	-138.85
Dipole, Da:	3.75
IP(EA), eV:	-8.41(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(3-pyrrolidin-1-ylazepan-1-yl)sulfonylbenzonitrile

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations