Geometry & MOs

Info

ID:

443564

PubChem CID:

135259331

Reduced:

SN3O7C34H39 (1)

Stoich.:

AB3C7D34E39 (1)

Weight, g/mol:

645.250872

ΔHf, kcal/mol:

-244.21

Dipole, Da:

9.24

IP(EA), eV:

 -9.11(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[2-(2-methoxyphenyl)-2-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethoxy)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=C3OC)OCC45CC6CC(C4)CC(C6)C5)C(C)(C)C(=O)O)C7=NC=CO7

DOS

IR

Vibrations