Geometry & MOs

Info

ID:	184532
PubChem CID:	77173448
Reduced:	OCl2N2C15H26 (1)
Stoich.:	AB2C2D15E26 (1)
Weight, g/mol:	372.103145
ΔH_f, kcal/mol:	-123.49
Dipole, Da:	4.24
IP(EA), eV:	-9.16(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-[3-(4-methylsulfanylphenyl)prop-2-enoyl]-2-propan-2-yloxybenzoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CC(C(CC2=CC=CC=C2)N)O.Cl.Cl

DOS

IR

Vibrations