Geometry & MOs

Info

ID:	373891
PubChem CID:	131321073
Reduced:	ClNSO2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	257.027728
ΔH_f, kcal/mol:	-67.75
Dipole, Da:	1.97
IP(EA), eV:	-8.92(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C2CCSCCC2=CN=C1Cl

DOS

IR

Vibrations