Geometry & MOs

Info

ID:	84978
PubChem CID:	49871105
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	272.081537
ΔH_f, kcal/mol:	-69.34
Dipole, Da:	9.22
IP(EA), eV:	-8.22(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(chloromethyl)-2-methoxy-3-propan-2-yloxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)SCCC(=O)N2CCN(CC2)C3=CC=CC=C3OC

DOS

IR

Vibrations