Geometry & MOs

Info

ID:

102602

PubChem CID:

50068579

Reduced:

FN6O6C40H43 (1)

Stoich.:

AB6C6D40E43 (1)

Weight, g/mol:

633.296262

ΔHf, kcal/mol:

-221.41

Dipole, Da:

2.2

IP(EA), eV:

 -8.84(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)OC)C

DOS

IR

Vibrations