Geometry & MOs

Info

ID:	430174
PubChem CID:	135170237
Reduced:	O5H12C18 (1)
Stoich.:	A5B12C18 (1)
Weight, g/mol:	396.093249
ΔH_f, kcal/mol:	-112.88
Dipole, Da:	6.95
IP(EA), eV:	-9.19(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C=C/2\C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O

DOS

IR

Vibrations