Geometry & MOs

Info

ID:	61793
PubChem CID:	26713178
Reduced:	F2N2O4H24C25 (1)
Stoich.:	A2B2C4D24E25 (1)
Weight, g/mol:	449.140927
ΔH_f, kcal/mol:	-206.29
Dipole, Da:	2.94
IP(EA), eV:	-9.17(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-3-nitro-N-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CNC(=O)C3=CC(=C(C=C3)OC(F)F)OC

DOS

IR

Vibrations