Geometry & MOs

Info

ID:

100612

PubChem CID:

50063147

Reduced:

FSO4N7C33H42 (1)

Stoich.:

ABC4D7E33F42 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-172.4

Dipole, Da:

9.42

IP(EA), eV:

 -8.73(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-carbamoyl-4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)C)F)C

DOS

IR

Vibrations