Geometry & MOs

Info

ID:	84458
PubChem CID:	49866490
Reduced:	SN2F3O7C22H23 (1)
Stoich.:	AB2C3D7E22F23 (1)
Weight, g/mol:	380.198759
ΔH_f, kcal/mol:	-314.92
Dipole, Da:	1.65
IP(EA), eV:	-9.03(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-hydroxy-3-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COCCN1CCC(CC1)(C(=O)N=O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations