Geometry & MOs

Info

ID:

186721

PubChem CID:

77472703

Reduced:

NC20H33 (1)

Stoich.:

AB20C33 (1)

Weight, g/mol:

886.299397

ΔHf, kcal/mol:

5.13

Dipole, Da:

2.37

IP(EA), eV:

 -8.17(1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-1-[2-(3-fluoroanilino)-3,3-dimethylbutanoyl]-4-[[8-fluoro-2-(4-propan-2-yloxyphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]oxy]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CCC(CC1)C(=CCN(CC(C)C)C(=C)C2CC2)C

DOS

IR

Vibrations