Geometry & MOs

Info

ID:	289509
PubChem CID:	104359048
Reduced:	BrClNOC9H11 (1)
Stoich.:	ABCDE9F11 (1)
Weight, g/mol:	400.92548
ΔH_f, kcal/mol:	-32.97
Dipole, Da:	1.14
IP(EA), eV:	-9.63(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-5-(pentylcarbamoyl)benzenesulfonyl chloride

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)Cl)C(CCN)O

DOS

IR

Vibrations