Geometry & MOs

Info

ID:	430148
PubChem CID:	135170211
Reduced:	NSO2H15C24 (1)
Stoich.:	ABC2D15E24 (1)
Weight, g/mol:	387.092915
ΔH_f, kcal/mol:	76.01
Dipole, Da:	5.88
IP(EA), eV:	-8.53(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(3-hydroxyphenyl)-8-methoxy-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

Drug info:

PubChemData

Smile

C#CC1=CC2=C(C=C1)C3=C(C2=O)C(SC4=CC=CC=C4N3)C5=CC(=CC=C5)O

DOS

IR

Vibrations