Geometry & MOs

Info

ID:

106291

PubChem CID:

50156423

Reduced:

N6O6C35H48 (1)

Stoich.:

A6B6C35D48 (1)

Weight, g/mol:

688.394833

ΔHf, kcal/mol:

-244.49

Dipole, Da:

8.51

IP(EA), eV:

 -8.78(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methoxy-5-(3-methylpiperidine-1-carbonyl)phenyl]-1-[1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)OC)C

DOS

IR

Vibrations