Geometry & MOs

Info

ID:	304840
PubChem CID:	124766227
Reduced:	FSN2O4C22H23 (1)
Stoich.:	ABC2D4E22F23 (1)
Weight, g/mol:	549.196728
ΔH_f, kcal/mol:	-157.62
Dipole, Da:	5.07
IP(EA), eV:	-9.2(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCC[C@]1([C@H]2[C@H]([C@H](N1)C3=CC=CS3)C(=O)N(C2=O)C4=CC=C(C=C4)F)C(=O)OCC

DOS

IR

Vibrations