Geometry & MOs

Info

ID:

80123

PubChem CID:

49833103

Reduced:

FSCl3O3N8H26C36 (1)

Stoich.:

ABC3D3E8F26G36 (1)

Weight, g/mol:

519.241645

ΔHf, kcal/mol:

51.65

Dipole, Da:

5.17

IP(EA), eV:

 -9.31(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-imidazo[1,2-a]pyridin-5-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C2=NC=C(N21)C(=O)NC3(CC3)C(=O)NC4(CC4)C5=NC=C(C=C5)C6=CN=C(S6)Cl)C7=CC(=C(C(=C7)Cl)F)Cl)CC8=CC=C(C=C8)C#N

DOS

IR

Vibrations