Geometry & MOs

Info

ID:

110451

PubChem CID:

50325112

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

617.301348

ΔHf, kcal/mol:

-229.11

Dipole, Da:

7.57

IP(EA), eV:

 -8.76(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-fluoro-3-[(3-methoxybenzoyl)amino]phenyl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C(=O)NC4CCCCC4)Cl)C(=O)N(C)C

DOS

IR

Vibrations