Geometry & MOs

Info

ID:

189935

PubChem CID:

77925676

Reduced:

O3C26H38 (1)

Stoich.:

A3B26C38 (1)

Weight, g/mol:

563.281778

ΔHf, kcal/mol:

-150.5

Dipole, Da:

4.02

IP(EA), eV:

 -9.72(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(3,3-dimethylbut-1-ynyl)-1-(4-methylcyclohexanecarbonyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]oxyethyl]-2H-thieno[3,2-d][1,3]oxazin-4-one

Drug info:

PubChemData

Smile

CC(C)C(C)C1=CC(=O)CCC1(C)C2CCC3(C(C2)C4CC4C35CCC(=O)O5)C

DOS

IR

Vibrations