Geometry & MOs

Info

ID:	59804
PubChem CID:	24897834
Reduced:	O2F3N6H17C21 (1)
Stoich.:	A2B3C6D17E21 (1)
Weight, g/mol:	342.024518
ΔH_f, kcal/mol:	-122.0
Dipole, Da:	9.24
IP(EA), eV:	-8.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(F)(F)F)NC(=O)NC2=CC=C(C=C2)C3=CN=CC4=C3C(=NN4)N

DOS

IR

Vibrations