Geometry & MOs

Info

ID:	44597
PubChem CID:	10504291
Reduced:	N3O5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	463.077282
ΔH_f, kcal/mol:	-159.4
Dipole, Da:	4.35
IP(EA), eV:	-7.79(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-diamino-5-(3,5-dimethylpyrazole-1-carbonyl)thieno[2,3-b]thiophen-2-yl]-(8-hydroxyquinolin-5-yl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C(C1C2=NC3=C(C(=C2)OC)N(C4=CC=CC=C43)C)C(=O)OCC)C)C

DOS

IR

Vibrations