Geometry & MOs

Info

ID:

98119

PubChem CID:

50039971

Reduced:

FN5O6C34H40 (1)

Stoich.:

AB5C6D34E40 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-255.95

Dipole, Da:

12.0

IP(EA), eV:

 -8.31(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations