Geometry & MOs

Info

ID:	153923
PubChem CID:	56313264
Reduced:	FO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	436.203193
ΔH_f, kcal/mol:	-126.24
Dipole, Da:	3.77
IP(EA), eV:	-8.57(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(1,4-dimethylcyclohexyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3NC2=O)CC4=CC=CC=C4F

DOS

IR

Vibrations