Geometry & MOs

Info

ID:	277139
PubChem CID:	103826939
Reduced:	BrClNOSC13H15 (1)
Stoich.:	ABCDEF13G15 (1)
Weight, g/mol:	312.9869
ΔH_f, kcal/mol:	-37.83
Dipole, Da:	2.04
IP(EA), eV:	-8.69(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-cyclohex-3-en-1-ylbenzamide

Drug info:

PubChemData

Smile

C1CSCCC1CNC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations