Geometry & MOs

Info

ID:

111292

PubChem CID:

50361432

Reduced:

ClFO4N5C34H45 (1)

Stoich.:

ABC4D5E34F45 (1)

Weight, g/mol:

690.410483

ΔHf, kcal/mol:

-232.91

Dipole, Da:

8.4

IP(EA), eV:

 -8.81(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-methoxy-4-(2-methylbutanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)F)Cl)C

DOS

IR

Vibrations