Geometry & MOs

Info

ID:	373892
PubChem CID:	131321078
Reduced:	ClNSO2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	257.027728
ΔH_f, kcal/mol:	-71.39
Dipole, Da:	4.84
IP(EA), eV:	-8.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-7-chloro-2,4-dihydrothiochromene-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(CCSC2=C1C=CC(=C2)Cl)N

DOS

IR

Vibrations