Geometry & MOs

Info

ID:

108477

PubChem CID:

50247200

Reduced:

F2N5O5C38H39 (1)

Stoich.:

A2B5C5D38E39 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-227.72

Dipole, Da:

15.13

IP(EA), eV:

 -8.88(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-fluoro-5-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5OC)F

DOS

IR

Vibrations