Geometry & MOs

Info

ID:	63488
PubChem CID:	26758474
Reduced:	ClFSN3O4H21C23 (1)
Stoich.:	ABCD3E4F21G23 (1)
Weight, g/mol:	397.01251
ΔH_f, kcal/mol:	-133.99
Dipole, Da:	7.93
IP(EA), eV:	-8.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)S(=O)(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations