Geometry & MOs

Info

ID:

108131

PubChem CID:

50231068

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

772.299631

ΔHf, kcal/mol:

-279.42

Dipole, Da:

11.36

IP(EA), eV:

 -8.99(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-[(3,4-difluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(C)C)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations