Geometry & MOs

Info

ID:	226062
PubChem CID:	87322179
Reduced:	BrSN2F3O4H26C27 (1)
Stoich.:	ABC2D3E4F26G27 (1)
Weight, g/mol:	218.070972
ΔH_f, kcal/mol:	-233.99
Dipole, Da:	2.44
IP(EA), eV:	-8.54(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propanoyl 1-chlorocyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCCC3)O)Br)C4CC4)C(=S)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations