Geometry & MOs

Info

ID:

181353

PubChem CID:

76733507

Reduced:

SF4N4O7C48H48 (1)

Stoich.:

AB4C4D7E48F48 (1)

Weight, g/mol:

841.358131

ΔHf, kcal/mol:

-323.77

Dipole, Da:

7.64

IP(EA), eV:

 -9.44(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopentyl N-[4-(cyclopropylsulfonylcarbamoyl)-18-[2-(1,5-dimethylpyrazol-3-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

Drug info:

PubChemData

Smile

C=CCCCCCC(CC1=CC(=CC=C1)F)C(=O)N2CC(CC2C(=O)CC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC(=NC6=C5OC7=CC=CC=C76)C8=CC=C(C=C8)C(F)(F)F

DOS

IR

Vibrations