Geometry & MOs

Info

ID:

114749

PubChem CID:

50495544

Reduced:

F4O4N5C35H39 (1)

Stoich.:

A4B4C5D35E39 (1)

Weight, g/mol:

609.256289

ΔHf, kcal/mol:

-337.9

Dipole, Da:

2.21

IP(EA), eV:

 -9.02(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations