Geometry & MOs

Info

ID:	68853
PubChem CID:	46509453
Reduced:	NSF2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	400.126835
ΔH_f, kcal/mol:	-196.92
Dipole, Da:	2.03
IP(EA), eV:	-8.83(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethylsulfanyl)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)SC(F)F)C

DOS

IR

Vibrations