Geometry & MOs

Info

ID:

97456

PubChem CID:

50031880

Reduced:

F2O4N5C36H41 (1)

Stoich.:

A2B4C5D36E41 (1)

Weight, g/mol:

639.242389

ΔHf, kcal/mol:

-223.24

Dipole, Da:

7.86

IP(EA), eV:

 -8.94(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(propylcarbamoyl)phenyl]-1-[1-[5-[(2,6-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=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5CCCCC5

DOS

IR

Vibrations