Geometry & MOs

Info

ID:	159752
PubChem CID:	57288711
Reduced:	O3C13H21 (2)
Stoich.:	A3B13C21 (2)
Weight, g/mol:	444.048146
ΔH_f, kcal/mol:	-287.0
Dipole, Da:	2.72
IP(EA), eV:	-8.82(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-chloro-5-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-2-yl)-pyridin-2-ylamino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCC1=CC=C(C=C1)OCCOC(=O)C(=C)CCC(CO)(CO)CO

DOS

IR

Vibrations