Geometry & MOs

Info

ID:	189835
PubChem CID:	77911087
Reduced:	BrFN5O6C26H27 (1)
Stoich.:	ABC5D6E26F27 (1)
Weight, g/mol:	537.090535
ΔH_f, kcal/mol:	-146.67
Dipole, Da:	13.92
IP(EA), eV:	-8.85(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(2,3-dichlorophenyl)methyl]benzimidazol-2-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)CON=C2CN(CC2CN)C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)F)Br)OC

DOS

IR

Vibrations