Geometry & MOs

Info

ID:

106642

PubChem CID:

50171350

Reduced:

N6O6C35H48 (1)

Stoich.:

A6B6C35D48 (1)

Weight, g/mol:

539.254397

ΔHf, kcal/mol:

-246.78

Dipole, Da:

8.69

IP(EA), eV:

 -8.81(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-acetamido-4-fluorophenyl)-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N)OC

DOS

IR

Vibrations