Geometry & MOs

Info

ID:	430133
PubChem CID:	135170194
Reduced:	NSO2H17C23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	425.004405
ΔH_f, kcal/mol:	17.31
Dipole, Da:	4.55
IP(EA), eV:	-8.47(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dichloro-11-(3-hydroxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C2=O)C(SC4=CC=CC=C4N3)C5=CC=CC(=C5)CO

DOS

IR

Vibrations