Geometry & MOs

Info

ID:	89451
PubChem CID:	49961820
Reduced:	N2O3H16C22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	377.108565
ΔH_f, kcal/mol:	-21.05
Dipole, Da:	5.94
IP(EA), eV:	-9.09(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-1-(4-methylsulfanylphenyl)-1H-benzo[f]chromene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)C#N)C4=CC=CC=C4C=C2)N

DOS

IR

Vibrations