Geometry & MOs

Info

ID:

45124

PubChem CID:

10508191

Reduced:

N3O6C37H43 (1)

Stoich.:

A3B6C37D43 (1)

Weight, g/mol:

625.191643

ΔHf, kcal/mol:

-199.11

Dipole, Da:

5.21

IP(EA), eV:

 -9.25(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[5-[(butanoylamino)methyl]-6-[4-(methoxymethoxy)phenyl]-1-[(2-methylsulfanylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=CC=CC=C2C1=O)CCCC(=O)NCCCCNCCCNC(=O)CCCC3=C(C(=O)C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations