Geometry & MOs

Info

ID:

108125

PubChem CID:

50230937

Reduced:

F2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

744.288317

ΔHf, kcal/mol:

-251.76

Dipole, Da:

8.27

IP(EA), eV:

 -8.91(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations