Geometry & MOs

Info

ID:

438833

PubChem CID:

135228590

Reduced:

FS2N5O7C31H40 (1)

Stoich.:

AB2C5D7E31F40 (1)

Weight, g/mol:

468.146741

ΔHf, kcal/mol:

-272.46

Dipole, Da:

7.46

IP(EA), eV:

 -8.88(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-pyrazol-1-ylthieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C(C)(CC)N1C(=O)C2=C(N(C1=O)C[C@@H](C3=C(C=CC(=C3)F)OC)OCCS(=O)(=O)C)SC(=C2C)N4C=CC=N4

DOS

IR

Vibrations