Geometry & MOs

Info

ID:

106476

PubChem CID:

50164796

Reduced:

N3O3C20H28 (2)

Stoich.:

A3B3C20D28 (2)

Weight, g/mol:

599.290783

ΔHf, kcal/mol:

-261.87

Dipole, Da:

2.31

IP(EA), eV:

 -8.62(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4-fluorophenyl)carbamoyl]-6-methylphenyl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCC(CC5)C)C

DOS

IR

Vibrations