Geometry & MOs

Info

ID:	180391
PubChem CID:	76626973
Reduced:	S2O4N5H23C25 (1)
Stoich.:	A2B4C5D23E25 (1)
Weight, g/mol:	500.151826
ΔH_f, kcal/mol:	-37.25
Dipole, Da:	10.17
IP(EA), eV:	-8.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[5-[2-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]phenyl]acetate

Drug info:

PubChemData

Smile

CC(C)(C1C2=C(N=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C)OC4=CC=CC=C14)C(=O)NC5=NN=CS5

DOS

IR

Vibrations