Geometry & MOs

Info

ID:

107096

PubChem CID:

50189895

Reduced:

N5O5C35H41 (1)

Stoich.:

A5B5C35D41 (1)

Weight, g/mol:

629.301348

ΔHf, kcal/mol:

-160.5

Dipole, Da:

8.89

IP(EA), eV:

 -8.66(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations