Geometry & MOs

Info

ID:	43347
PubChem CID:	10321160
Reduced:	ClFON4C24H28 (1)
Stoich.:	ABCD4E24F28 (1)
Weight, g/mol:	442.126396
ΔH_f, kcal/mol:	-45.59
Dipole, Da:	5.93
IP(EA), eV:	-8.46(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexen-1-ylmethyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride

Drug info:

PubChemData

Smile

CN(C)C(=O)NCCN1CCC(CC1)C2=CN(C3=C2C=CC(=C3)Cl)C4=CC=C(C=C4)F

DOS

IR

Vibrations