Geometry & MOs

Info

ID:

117106

PubChem CID:

50589815

Reduced:

ClO5N6C34H43 (1)

Stoich.:

AB5C6D34E43 (1)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-204.79

Dipole, Da:

4.09

IP(EA), eV:

 -9.01(-0.52)

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-[3-methyl-4-(propanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations