Geometry & MOs

Info

ID:

91196

PubChem CID:

49974002

Reduced:

ClN4O4C26H31 (1)

Stoich.:

AB4C4D26E31 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-138.07

Dipole, Da:

3.73

IP(EA), eV:

 -9.19(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(2-methylpropanoylamino)phenyl]-1-[1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations