Geometry & MOs

Info

ID:	140217
PubChem CID:	52663928
Reduced:	FSO2N3H22C23 (1)
Stoich.:	ABC2D3E22F23 (1)
Weight, g/mol:	447.207053
ΔH_f, kcal/mol:	-61.97
Dipole, Da:	6.01
IP(EA), eV:	-8.99(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3F)C4=CC=CS4

DOS

IR

Vibrations