Geometry & MOs

Info

ID:

423136

PubChem CID:

135118985

Reduced:

O6N9C35H43 (1)

Stoich.:

A6B9C35D43 (1)

Weight, g/mol:

371.12161

ΔHf, kcal/mol:

-120.48

Dipole, Da:

9.93

IP(EA), eV:

 -8.89(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=NN2CC(=O)N1)C)CC3=CC=CC=C3)C(=O)CCC4=NC(=NO4)C5=CC=CC=C5OC)C(C)C

DOS

IR

Vibrations