Geometry & MOs

Info

ID:

99909

PubChem CID:

50056156

Reduced:

F4O4N5C31H31 (1)

Stoich.:

A4B4C5D31E31 (1)

Weight, g/mol:

696.263852

ΔHf, kcal/mol:

-299.08

Dipole, Da:

11.51

IP(EA), eV:

 -8.99(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(propylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations