Geometry & MOs

Info

ID:

94204

PubChem CID:

49999016

Reduced:

ClO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-214.7

Dipole, Da:

5.38

IP(EA), eV:

 -9.16(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-[(4-fluoro-2-methylphenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations