Geometry & MOs

Info

ID:	169462
PubChem CID:	75106109
Reduced:	ClOSN2C21H29 (1)
Stoich.:	ABCD2E21F29 (1)
Weight, g/mol:	421.12269
ΔH_f, kcal/mol:	-58.02
Dipole, Da:	4.74
IP(EA), eV:	-8.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-(2-piperidin-1-ylethyl)-2H-phenanthridine-2-sulfonamide;hydrochloride

Drug info:

PubChemData

Smile

CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC4=C(C=C3)C=CS4.Cl

DOS

IR

Vibrations