Geometry & MOs

Info

ID:

108351

PubChem CID:

50242239

Reduced:

F4O5N6C42H42 (1)

Stoich.:

A4B5C6D42E42 (1)

Weight, g/mol:

744.288317

ΔHf, kcal/mol:

-327.89

Dipole, Da:

9.36

IP(EA), eV:

 -8.93(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[4-fluoro-3-[(4-methoxybenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)CC6=CC=C(C=C6)F)F

DOS

IR

Vibrations