Geometry & MOs

Info

ID:

95386

PubChem CID:

50008923

Reduced:

N5O5C30H39 (1)

Stoich.:

A5B5C30D39 (1)

Weight, g/mol:

576.306018

ΔHf, kcal/mol:

-191.06

Dipole, Da:

8.56

IP(EA), eV:

 -8.69(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(dimethylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)C

DOS

IR

Vibrations