Geometry & MOs

Info

ID:

443583

PubChem CID:

135259395

Reduced:

SN4O7C32H34 (1)

Stoich.:

AB4C7D32E34 (1)

Weight, g/mol:

613.173015

ΔHf, kcal/mol:

-225.02

Dipole, Da:

7.26

IP(EA), eV:

 -9.27(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[2-[[(3S,6S)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CC(C3=CC=CC=C3CC#N)OC4C[C@@H]5CC(CC5C4)O)C(C)(C)C(=O)O)C6=NC=CO6

DOS

IR

Vibrations