Geometry & MOs

Info

ID:	49248
PubChem CID:	11532339
Reduced:	SN3O5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	443.222722
ΔH_f, kcal/mol:	-156.29
Dipole, Da:	1.88
IP(EA), eV:	-8.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;2-[4-(2-methylpropyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CN1C2CCC1C(C(=O)C2CC3=CC4=C(C=C3)NS(=O)(=O)N4)CC5=CC(=C(C=C5)O)O

DOS

IR

Vibrations