Geometry & MOs

Info

ID:	67349
PubChem CID:	46506323
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	582.04919
ΔH_f, kcal/mol:	-176.75
Dipole, Da:	6.95
IP(EA), eV:	-8.75(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(4-bromophenyl)-5-N-(4-chlorophenyl)-2-N-cyclopentyl-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)NC3CCCC4=CC=CC=C34)OC

DOS

IR

Vibrations