Geometry & MOs

Info

ID:	46393
PubChem CID:	10524223
Reduced:	SO6C19H30 (1)
Stoich.:	AB6C19D30 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-263.06
Dipole, Da:	2.91
IP(EA), eV:	-9.43(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-5-[2-(dimethylamino)ethyl]-3-hydroxy-8-methoxy-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Drug info:

PubChemData

Smile

CS(=O)(=O)OCCCC[C@@H](COCC1=CC=CC=C1)OC2CCCCO2

DOS

IR

Vibrations