Geometry & MOs

Info

ID:	53743
PubChem CID:	14717844
Reduced:	PC66H135 (1)
Stoich.:	AB66C135 (1)
Weight, g/mol:	392.096141
ΔH_f, kcal/mol:	-315.61
Dipole, Da:	1.49
IP(EA), eV:	-8.34(3.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCP(CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC

DOS

IR

Vibrations