Geometry & MOs

Info

ID:

98209

PubChem CID:

50040795

Reduced:

BrFO3N4C29H30 (1)

Stoich.:

ABC3D4E29F30 (1)

Weight, g/mol:

675.28684

ΔHf, kcal/mol:

-120.55

Dipole, Da:

8.13

IP(EA), eV:

 -9.0(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]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=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations