Geometry & MOs

Info

ID:

105530

PubChem CID:

50111213

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

550.290368

ΔHf, kcal/mol:

-218.84

Dipole, Da:

2.73

IP(EA), eV:

 -9.18(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-acetamidoanilino)-2-oxoethyl]-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC(=C2NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N(C)C)C)C

DOS

IR

Vibrations