Geometry & MOs

Info

ID:	297991
PubChem CID:	117644836
Reduced:	ClS2N3O3F4H26C29 (1)
Stoich.:	AB2C3D3E4F26G29 (1)
Weight, g/mol:	375.123736
ΔH_f, kcal/mol:	-239.55
Dipole, Da:	6.32
IP(EA), eV:	-8.82(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-pyridin-4-ylprop-2-en-1-one;hydrochloride

Drug info:

PubChemData

Smile

C1CC1C2C3(CCSCC3)C4=C(N2S(=O)(=O)C5=CC=C(C=C5)F)C=CC(=C4)C(=O)NCC6=C(C=C(C=N6)Cl)C(F)(F)F

DOS

IR

Vibrations