Geometry & MOs

Info

ID:

117107

PubChem CID:

50589844

Reduced:

ClO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

708.259374

ΔHf, kcal/mol:

-225.42

Dipole, Da:

5.41

IP(EA), eV:

 -8.33(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]-N-[2-[4-[(3-chlorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)CC)C)Cl

DOS

IR

Vibrations