Geometry & MOs

Info

ID:

114752

PubChem CID:

50495632

Reduced:

F4O4N5C31H31 (1)

Stoich.:

A4B4C5D31E31 (1)

Weight, g/mol:

609.256289

ΔHf, kcal/mol:

-291.56

Dipole, Da:

2.64

IP(EA), eV:

 -9.2(-0.72)

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-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations