Geometry & MOs

Info

ID:

91234

PubChem CID:

49974271

Reduced:

ClO5N6C39H53 (1)

Stoich.:

AB5C6D39E53 (1)

Weight, g/mol:

563.310769

ΔHf, kcal/mol:

-228.0

Dipole, Da:

14.79

IP(EA), eV:

 -8.65(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(dimethylcarbamoyl)-2-methylphenyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations