Geometry & MOs

Info

ID:

94866

PubChem CID:

50004449

Reduced:

N5O5C36H45 (1)

Stoich.:

A5B5C36D45 (1)

Weight, g/mol:

684.363533

ΔHf, kcal/mol:

-179.33

Dipole, Da:

7.06

IP(EA), eV:

 -8.29(-0.25)

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-[1-[3-[(4-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC(=C4)C)OC

DOS

IR

Vibrations