Geometry & MOs

Info

ID:

111218

PubChem CID:

50358484

Reduced:

F2O4N5C29H35 (1)

Stoich.:

A2B4C5D29E35 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-234.66

Dipole, Da:

3.04

IP(EA), eV:

 -8.9(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-fluorobenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC=C3F)F)C(=O)N4CCCC4

DOS

IR

Vibrations