Geometry & MOs

Info

ID:

108486

PubChem CID:

50247471

Reduced:

F2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-271.75

Dipole, Da:

3.43

IP(EA), eV:

 -8.58(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)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)NC(=O)C

DOS

IR

Vibrations