Geometry & MOs

Info

ID:	134101
PubChem CID:	51644056
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	466.119641
ΔH_f, kcal/mol:	-114.43
Dipole, Da:	6.33
IP(EA), eV:	-9.64(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations