Geometry & MOs

Info

ID:	84077
PubChem CID:	49864008
Reduced:	ClSO2N6H21C22 (1)
Stoich.:	ABC2D6E21F22 (1)
Weight, g/mol:	297.100108
ΔH_f, kcal/mol:	55.35
Dipole, Da:	3.31
IP(EA), eV:	-8.96(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-methoxy-2-(2-methoxyphenyl)chromen-4-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC3=C(C=C2)OCC3)C(=O)NN(CC(C)C)C4=NC(=NC=C4Cl)C#N

DOS

IR

Vibrations