Geometry & MOs

Info

ID:	235437
PubChem CID:	92708899
Reduced:	OSN2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	365.156184
ΔH_f, kcal/mol:	24.14
Dipole, Da:	4.85
IP(EA), eV:	-8.78(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C[C@@H](C2=CC=CS2)N3C=CC=C3

DOS

IR

Vibrations