Geometry & MOs

Info

ID:

120250

PubChem CID:

50719327

Reduced:

Cl2O5N6C33H42 (1)

Stoich.:

A2B5C6D33E42 (1)

Weight, g/mol:

654.329646

ΔHf, kcal/mol:

-213.78

Dipole, Da:

9.27

IP(EA), eV:

 -9.0(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[4-methyl-3-(2-methylbutanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=C(C=C1)Cl)C(=O)N2CCCCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl

DOS

IR

Vibrations