Geometry & MOs

Info

ID:

184693

PubChem CID:

77192929

Reduced:

FPN6O8C25H38 (1)

Stoich.:

ABC6D8E25F38 (1)

Weight, g/mol:

636.213045

ΔHf, kcal/mol:

-412.68

Dipole, Da:

6.58

IP(EA), eV:

 -8.67(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[6-(4-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(COC(=O)C(C)(C)C)NP(=O)(OCC1C(C(C(O1)C2=CNC3N2NC(NC3=O)N)(C)F)O)OC4=CC=CC=C4

DOS

IR

Vibrations