Geometry & MOs

Info

ID:

105073

PubChem CID:

50106306

Reduced:

O4N5C27H35 (1)

Stoich.:

A4B5C27D35 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-151.13

Dipole, Da:

8.23

IP(EA), eV:

 -8.83(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-fluoro-5-[(3-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)NC(=O)C

DOS

IR

Vibrations