Geometry & MOs

Info

ID:

109489

PubChem CID:

50286324

Reduced:

ClFO4N5C31H33 (1)

Stoich.:

ABC4D5E31F33 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-175.81

Dipole, Da:

5.43

IP(EA), eV:

 -9.11(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-[(4-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=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations