Geometry & MOs

Info

ID:	425273
PubChem CID:	135125746
Reduced:	F2S2N3O5C24H29 (1)
Stoich.:	A2B2C3D5E24F29 (1)
Weight, g/mol:	541.15167
ΔH_f, kcal/mol:	-257.49
Dipole, Da:	3.27
IP(EA), eV:	-8.97(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2R)-2-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-2,3-difluorophenyl]-1-(methylsulfamoyl)propan-2-yl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CC1(COC(OC1)C2=CC(=C(C(=C2)F)F)C(C)(CS(=O)(=O)NC)NC(=S)NC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations