Geometry & MOs

Info

ID:	430304
PubChem CID:	135170368
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	417.103479
ΔH_f, kcal/mol:	-107.95
Dipole, Da:	2.36
IP(EA), eV:	-9.19(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4E)-4-[4-(3-hydroxyphenyl)-1-methylidene-3-oxo-4,10-dihydrocyclopenta[c][1,5]benzothiazepin-2-ylidene]-2-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C)(C)/C(=C(/C)\C(=O)C)/O

DOS

IR

Vibrations