Geometry & MOs

Info

ID:	430309
PubChem CID:	135170373
Reduced:	F2N2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	389.108565
ΔH_f, kcal/mol:	-42.78
Dipole, Da:	2.63
IP(EA), eV:	-8.94(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C\N=C(C(C)(F)F)N=C)/C=C

DOS

IR

Vibrations