Geometry & MOs

Info

ID:

112368

PubChem CID:

50404596

Reduced:

F2O5N6C33H36 (1)

Stoich.:

A2B5C6D33E36 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-252.44

Dipole, Da:

9.04

IP(EA), eV:

 -8.91(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(methylcarbamoyl)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=CC=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C(=O)NC

DOS

IR

Vibrations