Geometry & MOs

Info

ID:	247873
PubChem CID:	103077222
Reduced:	BrClFSO2N3C10H10 (1)
Stoich.:	ABCDE2F3G10H10 (1)
Weight, g/mol:	387.92955
ΔH_f, kcal/mol:	-76.59
Dipole, Da:	3.24
IP(EA), eV:	-9.3(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

CN(CCC#N)S(=O)(=O)C1=CC(=C(C(=C1F)N)Br)Cl

DOS

IR

Vibrations