Geometry & MOs

Info

ID:

112601

PubChem CID:

50412902

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

654.329646

ΔHf, kcal/mol:

-192.96

Dipole, Da:

5.5

IP(EA), eV:

 -8.78(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-chloro-5-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC)Cl

DOS

IR

Vibrations