Geometry & MOs

Info

ID:	143608
PubChem CID:	53235006
Reduced:	FO4N6H27C33 (1)
Stoich.:	AB4C6D27E33 (1)
Weight, g/mol:	585.135191
ΔH_f, kcal/mol:	-40.18
Dipole, Da:	3.23
IP(EA), eV:	-9.31(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-2-acetamidopropanoyl]amino]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide

Drug info:

PubChemData

Smile

CC(C1=C(C(=O)C2=CC=CC=C2O1)C3=CC(=CC=C3)F)N4C5=NC=NC(=C5C(=N4)C6=CC(=CC=C6)C(=O)N7CCOCC7)N

DOS

IR

Vibrations