Geometry & MOs

Info

ID:	306181
PubChem CID:	125002209
Reduced:	SN8C17H22 (1)
Stoich.:	AB8C17D22 (1)
Weight, g/mol:	337.146013
ΔH_f, kcal/mol:	112.71
Dipole, Da:	4.31
IP(EA), eV:	-9.27(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-phenyl-4-pyrrolidin-1-ylsulfonylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC2=NC(=NC(=C2)[C@H]3CCCN3CC4=CC=NN4)C

DOS

IR

Vibrations