Geometry & MOs

Info

ID:	134181
PubChem CID:	51658451
Reduced:	SO3N4C26H38 (1)
Stoich.:	AB3C4D26E38 (1)
Weight, g/mol:	443.257277
ΔH_f, kcal/mol:	-99.28
Dipole, Da:	6.04
IP(EA), eV:	-8.14(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzhydryloxy-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations