Geometry & MOs

Info

ID:	378405
PubChem CID:	134224485
Reduced:	ClSO2F3N5H17C19 (1)
Stoich.:	ABC2D3E5F17G19 (1)
Weight, g/mol:	336.127406
ΔH_f, kcal/mol:	-134.91
Dipole, Da:	3.01
IP(EA), eV:	-9.08(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-fluorophenyl)-4-(phenoxymethyl)benzamide

Drug info:

PubChemData

Smile

C1CC(C[C@@H](C1C2=CC=NN2)OC3=CC(=C(C=C3Cl)S(=O)NC4=NC=NC=C4)F)(F)F

DOS

IR

Vibrations