Geometry & MOs

Info

ID:

191349

PubChem CID:

78135913

Reduced:

N2O8C41H70 (1)

Stoich.:

A2B8C41D70 (1)

Weight, g/mol:

552.126595

ΔHf, kcal/mol:

-344.89

Dipole, Da:

27.34

IP(EA), eV:

 -6.94(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-14-pyrimidin-5-yl-5-thia-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-4-amine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NC(C)C2CC3CCCC(C3)(C2)O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations