Geometry & MOs

Info

ID:

110003

PubChem CID:

50304711

Reduced:

ClN5O5C32H42 (1)

Stoich.:

AB5C5D32E42 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-209.83

Dipole, Da:

11.47

IP(EA), eV:

 -8.88(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-ethyl-6-methylphenyl)-1-[1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)Cl)OC)C(=O)NC(C)C

DOS

IR

Vibrations