Geometry & MOs

Info

ID:

91235

PubChem CID:

49974280

Reduced:

N5O5C31H41 (1)

Stoich.:

A5B5C31D41 (1)

Weight, g/mol:

688.394833

ΔHf, kcal/mol:

-186.09

Dipole, Da:

13.07

IP(EA), eV:

 -8.98(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-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)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)N(C)C)C

DOS

IR

Vibrations