Geometry & MOs

Info

ID:

114682

PubChem CID:

50492194

Reduced:

ClO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-154.91

Dipole, Da:

9.27

IP(EA), eV:

 -8.57(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-[4-(2-methylpropanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations