Geometry & MOs

Info

ID:	89438
PubChem CID:	49961723
Reduced:	SN2O3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	286.095357
ΔH_f, kcal/mol:	-66.72
Dipole, Da:	3.85
IP(EA), eV:	-8.69(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,7-diamino-4-(furan-2-yl)-4H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(OC2=C(C1C3=CC=CS3)C=CC(=C2)N)N

DOS

IR

Vibrations