Geometry & MOs

Info

ID:

144486

PubChem CID:

53376276

Reduced:

SO2F3N3H18C22 (1)

Stoich.:

AB2C3D3E18F22 (1)

Weight, g/mol:

862.302984

ΔHf, kcal/mol:

-142.56

Dipole, Da:

1.56

IP(EA), eV:

 -8.67(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-1-[4-[3-methoxy-4-[(E)-4-[2-methoxy-4-[5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]but-2-enoxy]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbonyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)CCN1/C(=C/2\C3=C(C=C(C=C3)F)NC2=O)/S/C(=C\C4=C(C=C(C=C4)F)F)/C1=O

DOS

IR

Vibrations