Geometry & MOs

Info

ID:

94927

PubChem CID:

50004996

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-232.68

Dipole, Da:

8.95

IP(EA), eV:

 -9.16(-0.94)

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-[2-[3-chloro-4-(cyclohexanecarbonylamino)anilino]-2-oxoethyl]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)NCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)N4CCC(CC4)C

DOS

IR

Vibrations