Geometry & MOs

Info

ID:	121666
PubChem CID:	50776318
Reduced:	O4N7C25H25 (1)
Stoich.:	A4B7C25D25 (1)
Weight, g/mol:	452.245727
ΔH_f, kcal/mol:	0.84
Dipole, Da:	7.82
IP(EA), eV:	-9.24(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)N(C(=O)C(=N2)C3=NOC(=N3)C(=O)NCCN4CCC5=CC=CC=C5C4)C

DOS

IR

Vibrations