Geometry & MOs

Info

ID:	139795
PubChem CID:	52596384
Reduced:	FSO2N4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	436.156912
ΔH_f, kcal/mol:	-45.93
Dipole, Da:	6.46
IP(EA), eV:	-8.75(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyphenyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations