Geometry & MOs

Info

ID:

99226

PubChem CID:

50049171

Reduced:

ClF2O5N6C39H45 (1)

Stoich.:

AB2C5D6E39F45 (1)

Weight, g/mol:

708.263852

ΔHf, kcal/mol:

-287.75

Dipole, Da:

8.82

IP(EA), eV:

 -9.15(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)F)C)Cl

DOS

IR

Vibrations