Geometry & MOs

Info

ID:

109695

PubChem CID:

50294339

Reduced:

ClFO5N6C37H42 (1)

Stoich.:

ABC5D6E37F42 (1)

Weight, g/mol:

760.374847

ΔHf, kcal/mol:

-228.63

Dipole, Da:

3.61

IP(EA), eV:

 -8.67(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[2-(4-fluorophenyl)acetyl]amino]-4-methylphenyl]-1-[1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5)C)F

DOS

IR

Vibrations