Geometry & MOs

Info

ID:	426657
PubChem CID:	135153169
Reduced:	ClO2N3C25H34 (1)
Stoich.:	AB2C3D25E34 (1)
Weight, g/mol:	450.91764
ΔH_f, kcal/mol:	-79.21
Dipole, Da:	5.79
IP(EA), eV:	-8.61(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dibromo-5,5-dimethyl-7-quinoxalin-2-ylthieno[2,3-c]pyridine

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=CN=C(C=C3)Cl

DOS

IR

Vibrations