Geometry & MOs

Info

ID:	213350
PubChem CID:	81063519
Reduced:	ClFNSO4C13H17 (1)
Stoich.:	ABCDE4F13G17 (1)
Weight, g/mol:	396.97502
ΔH_f, kcal/mol:	-206.34
Dipole, Da:	6.14
IP(EA), eV:	-9.79(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-[methyl(2-propan-2-yloxyethyl)carbamoyl]benzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(=O)C1=CC(=C(C=C1)F)S(=O)(=O)Cl

DOS

IR

Vibrations