Geometry & MOs

Info

ID:	60349
PubChem CID:	26683864
Reduced:	SN2O3C24H32 (1)
Stoich.:	AB2C3D24E32 (1)
Weight, g/mol:	497.180684
ΔH_f, kcal/mol:	-103.85
Dipole, Da:	9.9
IP(EA), eV:	-9.19(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N(C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations