Geometry & MOs

Info

ID:	144189
PubChem CID:	53329106
Reduced:	SN2F3O3C19H21 (1)
Stoich.:	AB2C3D3E19F21 (1)
Weight, g/mol:	381.143236
ΔH_f, kcal/mol:	-246.2
Dipole, Da:	7.27
IP(EA), eV:	-8.76(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexylsulfonyl-N-(2-phenylsulfanylethyl)cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCCNC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations