Geometry & MOs

Info

ID:	213344
PubChem CID:	81063491
Reduced:	NO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	400.94995
ΔH_f, kcal/mol:	-156.25
Dipole, Da:	3.43
IP(EA), eV:	-9.64(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-[2-ethoxyethyl(methyl)carbamoyl]-2-fluorobenzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC/C=C(/C)\C(=O)NCC(CC)CC(=O)O

DOS

IR

Vibrations