Geometry & MOs

Info

ID:	44164
PubChem CID:	10501248
Reduced:	NO2C27H31 (1)
Stoich.:	AB2C27D31 (1)
Weight, g/mol:	401.159555
ΔH_f, kcal/mol:	-24.79
Dipole, Da:	2.38
IP(EA), eV:	-9.43(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-thiophen-3-yl-1,3-thiazolidin-4-yl]methanone

Drug info:

PubChemData

Smile

C[C@@]12[C@@H]3C[C@@H](C3(C)C)C[C@@H]1N4C(=O)[C@@H](C[C@]4(O2)C5=CC=CC=C5)CC6=CC=CC=C6

DOS

IR

Vibrations