Geometry & MOs

Info

ID:	152622
PubChem CID:	56311600
Reduced:	SF2O2N3H19C21 (1)
Stoich.:	AB2C2D3E19F21 (1)
Weight, g/mol:	496.13359
ΔH_f, kcal/mol:	-101.11
Dipole, Da:	3.4
IP(EA), eV:	-8.5(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CS2)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations