Geometry & MOs

Info

ID:

104904

PubChem CID:

50105908

Reduced:

ClO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

533.300205

ΔHf, kcal/mol:

-159.77

Dipole, Da:

10.0

IP(EA), eV:

 -8.98(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C

DOS

IR

Vibrations