Geometry & MOs

Info

ID:

101455

PubChem CID:

50064723

Reduced:

BrF2O4N5C34H36 (1)

Stoich.:

AB2C4D5E34F36 (1)

Weight, g/mol:

661.27119

ΔHf, kcal/mol:

-212.94

Dipole, Da:

11.57

IP(EA), eV:

 -8.98(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)C

DOS

IR

Vibrations