Geometry & MOs

Info

ID:

99865

PubChem CID:

50055777

Reduced:

ClN6O6C35H39 (1)

Stoich.:

AB6C6D35E39 (1)

Weight, g/mol:

626.321668

ΔHf, kcal/mol:

-200.61

Dipole, Da:

8.96

IP(EA), eV:

 -8.68(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-methyl-4-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations