Geometry & MOs

Info

ID:

445266

PubChem CID:

135265658

Reduced:

NOC20H25 (1)

Stoich.:

ABC20D25 (1)

Weight, g/mol:

652.24663

ΔHf, kcal/mol:

-13.89

Dipole, Da:

3.73

IP(EA), eV:

 -9.45(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2,2-dimethyl-3-[4-methyl-5-[2-[(Z)-N'-[(Z)-C-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]carbonimidoyl]carbamimidoyl]pyrimidin-5-yl]pyridin-2-yl]oxypropanoate

Drug info:

PubChemData

Smile

CCCC(CCC=O)C1=NC=C(C=C1)CCC2=CC=CC=C2

DOS

IR

Vibrations