Geometry & MOs

Info

ID:	149446
PubChem CID:	53789119
Reduced:	ClNO5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	209.05105
ΔH_f, kcal/mol:	-167.62
Dipole, Da:	4.13
IP(EA), eV:	-10.05(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminosulfanylphenyl) 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=NC3C=C(C=CC(=O)C3C2C(C1CC(=O)O)C)Cl

DOS

IR

Vibrations