Geometry & MOs

Info

ID:	151999
PubChem CID:	56310838
Reduced:	FSO2N3C22H22 (1)
Stoich.:	ABC2D3E22F22 (1)
Weight, g/mol:	455.118274
ΔH_f, kcal/mol:	-56.86
Dipole, Da:	5.29
IP(EA), eV:	-8.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[4-(5-chloropyridin-2-yl)piperazin-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCC1=CC=C(C=C1)F)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations