Geometry & MOs

Info

ID:

103893

PubChem CID:

50080810

Reduced:

ClFO5N6C37H42 (1)

Stoich.:

ABC5D6E37F42 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-230.63

Dipole, Da:

13.11

IP(EA), eV:

 -8.74(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations