Geometry & MOs

Info

ID:	64860
PubChem CID:	29204106
Reduced:	SN3O3C23H35 (1)
Stoich.:	AB3C3D23E35 (1)
Weight, g/mol:	433.239913
ΔH_f, kcal/mol:	-140.99
Dipole, Da:	5.73
IP(EA), eV:	-8.64(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4)C

DOS

IR

Vibrations