Geometry & MOs

Info

ID:	60370
PubChem CID:	26683928
Reduced:	N2O5C24H32 (1)
Stoich.:	A2B5C24D32 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-178.06
Dipole, Da:	3.61
IP(EA), eV:	-8.41(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[(2R)-2-phenylbutyl]butanamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1NC(=O)COC2=CC=CC(=C2C)C)OCC)N3CCOCC3

DOS

IR

Vibrations