Geometry & MOs

Info

ID:

91515

PubChem CID:

49976606

Reduced:

FN6O6C37H43 (1)

Stoich.:

AB6C6D37E43 (1)

Weight, g/mol:

690.297739

ΔHf, kcal/mol:

-251.86

Dipole, Da:

8.75

IP(EA), eV:

 -8.84(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C)F

DOS

IR

Vibrations