Geometry & MOs

Info

ID:	140414
PubChem CID:	52693817
Reduced:	F2O2N3C27H33 (1)
Stoich.:	A2B2C3D27E33 (1)
Weight, g/mol:	383.073991
ΔH_f, kcal/mol:	-147.37
Dipole, Da:	3.55
IP(EA), eV:	-9.19(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CCC[C@H](C1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations