Geometry & MOs

Info

ID:	124698
PubChem CID:	50892977
Reduced:	BrNSF2O4H10C14 (1)
Stoich.:	ABCD2E4F10G14 (1)
Weight, g/mol:	418.96385
ΔH_f, kcal/mol:	-196.16
Dipole, Da:	1.51
IP(EA), eV:	-10.08(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(N-(4-bromophenyl)sulfonyl-2,4-difluoroanilino)acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)(=O)N(CC(=O)O)C2=C(C=C(C=C2)F)F)Br

DOS

IR

Vibrations