Geometry & MOs

Info

ID:

110436

PubChem CID:

50324342

Reduced:

FN5O5C37H38 (1)

Stoich.:

AB5C5D37E38 (1)

Weight, g/mol:

639.265711

ΔHf, kcal/mol:

-172.3

Dipole, Da:

3.39

IP(EA), eV:

 -8.84(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-fluorobenzoyl)amino]phenyl]-1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations