Geometry & MOs

Info

ID:	124699
PubChem CID:	50892978
Reduced:	BrNSF2O4H12C15 (1)
Stoich.:	ABCD2E4F12G15 (1)
Weight, g/mol:	446.99515
ΔH_f, kcal/mol:	-198.45
Dipole, Da:	2.64
IP(EA), eV:	-9.96(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(N-(4-bromophenyl)sulfonyl-2,4-difluoroanilino)acetate

Drug info:

PubChemData

Smile

COC(=O)CN(C1=C(C=C(C=C1)F)F)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations