Geometry & MOs

Info

ID:	430100
PubChem CID:	135170157
Reduced:	ON2C23H30 (1)
Stoich.:	AB2C23D30 (1)
Weight, g/mol:	356.098334
ΔH_f, kcal/mol:	-24.1
Dipole, Da:	4.01
IP(EA), eV:	-8.46(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1CN3CCCC3)N=C(C4=C2CCC4)C5CCCC5

DOS

IR

Vibrations