Geometry & MOs

Info

ID:

109206

PubChem CID:

50276599

Reduced:

FN6O6C40H43 (1)

Stoich.:

AB6C6D40E43 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-225.0

Dipole, Da:

12.66

IP(EA), eV:

 -8.41(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(butan-2-ylcarbamoyl)-5-chloroanilino]-1-oxopropan-2-yl]-1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=C(C=C5)F)C

DOS

IR

Vibrations