Geometry & MOs

Info

ID:

90812

PubChem CID:

49972134

Reduced:

FO4N5C35H48 (1)

Stoich.:

AB4C5D35E48 (1)

Weight, g/mol:

621.369033

ΔHf, kcal/mol:

-222.43

Dipole, Da:

8.32

IP(EA), eV:

 -8.86(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)F)C

DOS

IR

Vibrations