Geometry & MOs

Info

ID:

106204

PubChem CID:

50152512

Reduced:

N6O6C33H46 (1)

Stoich.:

A6B6C33D46 (1)

Weight, g/mol:

698.415569

ΔHf, kcal/mol:

-258.71

Dipole, Da:

4.31

IP(EA), eV:

 -8.12(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-6-(3-methylpiperidine-1-carbonyl)phenyl]-1-[1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C)OC)C

DOS

IR

Vibrations