Geometry & MOs

Info

ID:	289510
PubChem CID:	104359100
Reduced:	BrNSCl2O3C12H14 (1)
Stoich.:	ABCD2E3F12G14 (1)
Weight, g/mol:	398.90983
ΔH_f, kcal/mol:	-122.59
Dipole, Da:	6.91
IP(EA), eV:	-10.33(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride

Drug info:

PubChemData

Smile

CCCCCNC(=O)C1=C(C(=CC(=C1)S(=O)(=O)Cl)Br)Cl

DOS

IR

Vibrations