Geometry & MOs

Info

ID:	128757
PubChem CID:	51057186
Reduced:	ClO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	315.092915
ΔH_f, kcal/mol:	-127.38
Dipole, Da:	4.15
IP(EA), eV:	-8.94(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)COC(=O)C(C2=CC=CC=C2)O)Cl

DOS

IR

Vibrations