Geometry & MOs

Info

ID:	85623
PubChem CID:	49877730
Reduced:	O3N4H18C22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	592.11437
ΔH_f, kcal/mol:	31.5
Dipole, Da:	4.41
IP(EA), eV:	-8.41(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(4-bromophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2,5-dicarboxamide

Drug info:

PubChemData

Smile

COC1=CC=C/C(=C/NNC(=O)C2=CC(=NN2)C3=CC4=CC=CC=C4C=C3)/C1=O

DOS

IR

Vibrations