Geometry & MOs

Info

ID:

443149

PubChem CID:

135257846

Reduced:

SN2O4F5C31H31 (1)

Stoich.:

AB2C4D5E31F31 (1)

Weight, g/mol:

424.198966

ΔHf, kcal/mol:

-335.89

Dipole, Da:

11.94

IP(EA), eV:

 -9.35(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[(3S)-8-[5-(chloromethyl)-3-methylpyrazol-1-yl]-1-hydroxyoctan-3-yl]amino]-5-hydroxypyrimidin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC(=C(C=C3)C(=O)O)O)N(C)SC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations