Geometry & MOs

Info

ID:

105493

PubChem CID:

50111063

Reduced:

N3O3C18H22 (2)

Stoich.:

A3B3C18D22 (2)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-202.82

Dipole, Da:

6.05

IP(EA), eV:

 -8.62(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-6-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N(C)C)C

DOS

IR

Vibrations