Geometry & MOs

Info

ID:	141563
PubChem CID:	52894100
Reduced:	SN2O3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	412.182064
ΔH_f, kcal/mol:	-77.68
Dipole, Da:	8.47
IP(EA), eV:	-9.1(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations