Geometry & MOs

Info

ID:	16884
PubChem CID:	478446
Reduced:	SO3N4C34H46 (1)
Stoich.:	AB3C4D34E46 (1)
Weight, g/mol:	590.329063
ΔH_f, kcal/mol:	-76.25
Dipole, Da:	8.82
IP(EA), eV:	-8.39(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-3-[(1R)-1-phenylethyl]-1-propylurea

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N[C@H](C)C4=CC=CC=C4

DOS

IR

Vibrations