Geometry & MOs

Info

ID:

329449

PubChem CID:

126736860

Reduced:

F2S2O4N6C17H22 (1)

Stoich.:

A2B2C4D6E17F22 (1)

Weight, g/mol:

675.343212

ΔHf, kcal/mol:

-202.65

Dipole, Da:

4.9

IP(EA), eV:

 -7.88(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1-[5-fluoro-2-[(3S,5S)-1-[(3R,4R)-3-methoxy-4-(4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carbonyl]-5-(methoxymethyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)NC2=CSC(N2C)[C@@]3(CS(=O)(=O)N(C(=N3)N)C)C)OC(F)F

DOS

IR

Vibrations