Geometry & MOs

Info

ID:

98016

PubChem CID:

50038004

Reduced:

F2O5N6C34H38 (1)

Stoich.:

A2B5C6D34E38 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-263.77

Dipole, Da:

12.86

IP(EA), eV:

 -8.92(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(cyclopentylcarbamoyl)-6-methylanilino]-3-oxopropyl]-1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations