Geometry & MOs

Info

ID:

111561

PubChem CID:

50372632

Reduced:

FN5O6C35H40 (1)

Stoich.:

AB5C6D35E40 (1)

Weight, g/mol:

535.279469

ΔHf, kcal/mol:

-237.67

Dipole, Da:

10.13

IP(EA), eV:

 -8.66(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-carbamoyl-6-methylphenyl)-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4F)OC)C(=O)N5CCOCC5

DOS

IR

Vibrations