Geometry & MOs

Info

ID:

90783

PubChem CID:

49972013

Reduced:

FN6O6C38H51 (1)

Stoich.:

AB6C6D38E51 (1)

Weight, g/mol:

730.349026

ΔHf, kcal/mol:

-304.38

Dipole, Da:

12.12

IP(EA), eV:

 -8.68(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-[(4-methoxybenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)F

DOS

IR

Vibrations