Geometry & MOs

Info

ID:	245141
PubChem CID:	99437694
Reduced:	OSN7C20H23 (1)
Stoich.:	ABC7D20E23 (1)
Weight, g/mol:	407.105211
ΔH_f, kcal/mol:	89.61
Dipole, Da:	11.86
IP(EA), eV:	-9.0(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-methyl-2-oxochromen-4-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CSC1=NN=NN1C2=CC=CC(=C2)NC(=O)[C@H]3CCCN(C3)CC4=CN=CC=C4

DOS

IR

Vibrations