Geometry & MOs

Info

ID:

108333

PubChem CID:

50241966

Reduced:

FN3O3C20H24 (2)

Stoich.:

AB3C3D20E24 (2)

Weight, g/mol:

704.313389

ΔHf, kcal/mol:

-314.84

Dipole, Da:

6.7

IP(EA), eV:

 -8.84(-0.61)

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-methoxy-5-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=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

DOS

IR

Vibrations