Geometry & MOs

Info

ID:	193106
PubChem CID:	78345541
Reduced:	BrSN2O5H21C22 (1)
Stoich.:	ABC2D5E21F22 (1)
Weight, g/mol:	447.179421
ΔH_f, kcal/mol:	-110.67
Dipole, Da:	3.65
IP(EA), eV:	-8.64(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(6-methylpyridin-2-yl)-3,9-dioxo-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C2C3=C(C(=O)N2C4=NC=CS4)OC5CCC(CC5C3=O)Br

DOS

IR

Vibrations