Geometry & MOs

Info

ID:

136123

PubChem CID:

51983697

Reduced:

SO2N4C17H25 (1)

Stoich.:

AB2C4D17E25 (1)

Weight, g/mol:

180.066068

ΔHf, kcal/mol:

-67.21

Dipole, Da:

1.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.948569

Charge, e:

 -1

Chem-info

IUPAC name:

5-amino-2-methoxy-3-methylbenzoate

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=[NH+]C=C(C=C2)CNC(=O)CN3CCSC3=O

DOS

IR

Vibrations