Geometry & MOs

Info

ID:

91507

PubChem CID:

49976567

Reduced:

FN6O6C33H43 (1)

Stoich.:

AB6C6D33E43 (1)

Weight, g/mol:

624.307161

ΔHf, kcal/mol:

-291.18

Dipole, Da:

11.2

IP(EA), eV:

 -8.66(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-fluoro-5-(propanoylamino)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C(C)C)F

DOS

IR

Vibrations