Geometry & MOs

Info

ID:

220144

PubChem CID:

85165292

Reduced:

N5O12C29H49 (1)

Stoich.:

A5B12C29D49 (1)

Weight, g/mol:

661.191643

ΔHf, kcal/mol:

-567.98

Dipole, Da:

5.19

IP(EA), eV:

 -9.59(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[5-(benzamidomethyl)-6-[4-(methoxymethoxy)phenyl]-1-[(2-methylsulfanylphenyl)methyl]-2,4-dioxo-4a,7a-dihydrothieno[2,3-d]pyrimidin-3-yl]acetate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)OC(C1C(C(C=C(O1)C(=O)O)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)C)C(CO)O

DOS

IR

Vibrations