Geometry & MOs

Info

ID:	247883
PubChem CID:	103077259
Reduced:	BrClFN2O2S2C11H13 (1)
Stoich.:	ABCD2E2F2G11H13 (1)
Weight, g/mol:	400.96118
ΔH_f, kcal/mol:	-108.06
Dipole, Da:	5.47
IP(EA), eV:	-8.61(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CN(C1CCSC1)S(=O)(=O)C2=CC(=C(C(=C2F)N)Br)Cl

DOS

IR

Vibrations