Geometry & MOs

Info

ID:

98055

PubChem CID:

50038823

Reduced:

ClFO4N5C30H31 (1)

Stoich.:

ABC4D5E30F31 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-170.71

Dipole, Da:

10.38

IP(EA), eV:

 -8.62(-0.88)

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-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]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)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations