Geometry & MOs

Info

ID:	196250
PubChem CID:	78803018
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	338.06559
ΔH_f, kcal/mol:	-94.79
Dipole, Da:	4.65
IP(EA), eV:	-9.06(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCCNC(=O)C3=CSC=C3

DOS

IR

Vibrations