Geometry & MOs

Info

ID:	38388
PubChem CID:	8034462
Reduced:	SO2N3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	386.103335
ΔH_f, kcal/mol:	34.22
Dipole, Da:	4.25
IP(EA), eV:	-8.45(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butyl-6-chloro-2-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations