Geometry & MOs

Info

ID:

95416

PubChem CID:

50009184

Reduced:

O5N6C36H44 (1)

Stoich.:

A5B6C36D44 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-179.95

Dipole, Da:

3.26

IP(EA), eV:

 -8.27(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[4-(propanoylamino)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)C

DOS

IR

Vibrations