Geometry & MOs

Info

ID:

188036

PubChem CID:

77659165

Reduced:

SN4O5H14C17 (1)

Stoich.:

AB4C5D14E17 (1)

Weight, g/mol:

745.325768

ΔHf, kcal/mol:

-109.5

Dipole, Da:

7.15

IP(EA), eV:

 -9.21(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-[2-[6-(propan-2-ylamino)pyridin-2-yl]thieno[2,3-d]pyrimidin-4-yl]oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CN(C1C(=O)O)C(=O)O)OC2=NC(=NC3=C2SC=C3)C4=CC=CC=N4

DOS

IR

Vibrations