Geometry & MOs

Info

ID:	177479
PubChem CID:	76191739
Reduced:	SN2O6C21H26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	486.309372
ΔH_f, kcal/mol:	-214.89
Dipole, Da:	9.14
IP(EA), eV:	-9.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl 2-cyclohexyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)C3NCCC(=O)N3)OC(C)CO)S(=O)(=O)C

DOS

IR

Vibrations