Geometry & MOs

Info

ID:

98961

PubChem CID:

50047634

Reduced:

FO5N6C32H35 (1)

Stoich.:

AB5C6D32E35 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-204.9

Dipole, Da:

3.4

IP(EA), eV:

 -9.14(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-4-(piperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]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)NCC(=O)NC4=CC=CC(=C4)C(=O)N

DOS

IR

Vibrations