Geometry & MOs

Info

ID:

107805

PubChem CID:

50219585

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

646.267046

ΔHf, kcal/mol:

-183.7

Dipole, Da:

4.57

IP(EA), eV:

 -8.76(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)Cl)C

DOS

IR

Vibrations