Geometry & MOs

Info

ID:	46184
PubChem CID:	10522890
Reduced:	ClSN3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	365.89253
ΔH_f, kcal/mol:	118.39
Dipole, Da:	3.95
IP(EA), eV:	-9.14(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6,8-dibromo-4-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(N2C3=CC=CC=C3N=N2)SC4=CC=C(C=C4)Cl

DOS

IR

Vibrations