Geometry & MOs

Info

ID:

104540

PubChem CID:

50104529

Reduced:

FN5O5C34H40 (1)

Stoich.:

AB5C5D34E40 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-215.39

Dipole, Da:

2.5

IP(EA), eV:

 -8.43(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations