Geometry & MOs

Info

ID:	272002
PubChem CID:	103714659
Reduced:	SO2N3C13H21 (1)
Stoich.:	AB2C3D13E21 (1)
Weight, g/mol:	342.151034
ΔH_f, kcal/mol:	-73.27
Dipole, Da:	5.03
IP(EA), eV:	-9.51(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(4-chloro-3-fluoroanilino)cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C1=NC=CS1)NCC(=O)NC2CCOCC2

DOS

IR

Vibrations