Geometry & MOs

Info

ID:	427037
PubChem CID:	135155163
Reduced:	ClSF2N4O4C34H35 (1)
Stoich.:	ABC2D4E4F34G35 (1)
Weight, g/mol:	365.213698
ΔH_f, kcal/mol:	-195.06
Dipole, Da:	6.27
IP(EA), eV:	-8.96(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(cyclohexen-1-yl)-2-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2-dihydropyridin-5-amine

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@H](C(=O)N4CCC(CC4)N)C(C5=NC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F

DOS

IR

Vibrations