Geometry & MOs

Info

ID:	127056
PubChem CID:	50988766
Reduced:	ClNO2C14H24 (1)
Stoich.:	ABC2D14E24 (1)
Weight, g/mol:	227.061614
ΔH_f, kcal/mol:	-124.2
Dipole, Da:	2.35
IP(EA), eV:	-8.76(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-4-methoxy-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC(C)/C=C\1/CCC(C1=O)CN2CCOCC2.Cl

DOS

IR

Vibrations