Geometry & MOs

Info

ID:

108427

PubChem CID:

50244534

Reduced:

BrF2O4N5C36H40 (1)

Stoich.:

AB2C4D5E36F40 (1)

Weight, g/mol:

635.271939

ΔHf, kcal/mol:

-224.73

Dipole, Da:

4.63

IP(EA), eV:

 -9.0(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2-fluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)F)C)C)Br

DOS

IR

Vibrations