Geometry & MOs

Info

ID:	242840
PubChem CID:	99213313
Reduced:	ClFSO3N4H10C16 (1)
Stoich.:	ABCD3E4F10G16 (1)
Weight, g/mol:	433.08235
ΔH_f, kcal/mol:	10.19
Dipole, Da:	7.64
IP(EA), eV:	-9.41(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-bromophenyl)cyclopentyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C(=O)NC2=NN=C(S2)C3=CC=CC=C3Cl)[N+](=O)[O-]

DOS

IR

Vibrations