Geometry & MOs

Info

ID:	152310
PubChem CID:	56311216
Reduced:	ON6C23H26 (1)
Stoich.:	AB6C23D26 (1)
Weight, g/mol:	480.16314
ΔH_f, kcal/mol:	102.86
Dipole, Da:	3.06
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=CC=CC=C2)N3CCN(CC3)CC4=NC5=CC=CC=C5N4C

DOS

IR

Vibrations