Geometry & MOs

Info

ID:	25351
PubChem CID:	623490
Reduced:	IO2N3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	301.040879
ΔH_f, kcal/mol:	10.44
Dipole, Da:	3.38
IP(EA), eV:	-8.91(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-methyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-5-yl] formate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(=O)NN=CC2=CC=C(C=C2)I)C

DOS

IR

Vibrations