Geometry & MOs

Info

ID:

113200

PubChem CID:

50434600

Reduced:

O5N6C37H54 (1)

Stoich.:

A5B6C37D54 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-247.29

Dipole, Da:

8.74

IP(EA), eV:

 -8.96(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[4-(methylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC(C)CC

DOS

IR

Vibrations