Geometry & MOs

Info

ID:

115457

PubChem CID:

50523451

Reduced:

ClFO5N6C36H42 (1)

Stoich.:

ABC5D6E36F42 (1)

Weight, g/mol:

734.335875

ΔHf, kcal/mol:

-229.91

Dipole, Da:

5.53

IP(EA), eV:

 -9.08(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(diethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations