Geometry & MOs

Info

ID:	247897
PubChem CID:	103077348
Reduced:	BrClFSN2O2C13H19 (1)
Stoich.:	ABCDE2F2G13H19 (1)
Weight, g/mol:	400.96118
ΔH_f, kcal/mol:	-135.82
Dipole, Da:	3.21
IP(EA), eV:	-9.19(-1.17)
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-ethylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations