Geometry & MOs

Info

ID:

112855

PubChem CID:

50422745

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

688.338461

ΔHf, kcal/mol:

-238.47

Dipole, Da:

9.13

IP(EA), eV:

 -8.63(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-fluoro-5-[(4-methoxybenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)C)NC(=O)C4CCCCC4)C

DOS

IR

Vibrations