Geometry & MOs

Info

ID:

95215

PubChem CID:

50007148

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

605.394105

ΔHf, kcal/mol:

-203.29

Dipole, Da:

6.37

IP(EA), eV:

 -8.92(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-(2-propan-2-ylanilino)butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)N4CCCC4

DOS

IR

Vibrations