Geometry & MOs

Info

ID:

98989

PubChem CID:

50047770

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-230.72

Dipole, Da:

12.98

IP(EA), eV:

 -8.87(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(butan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[5-[(5-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=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)C(=O)NC5CCCC5

DOS

IR

Vibrations