Geometry & MOs

Info

ID:

99162

PubChem CID:

50048739

Reduced:

F4O4N5C35H39 (1)

Stoich.:

A4B4C5D35E39 (1)

Weight, g/mol:

643.316998

ΔHf, kcal/mol:

-341.7

Dipole, Da:

4.32

IP(EA), eV:

 -9.07(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetylanilino)-3-methyl-1-oxobutan-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)C)C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations