Geometry & MOs

Info

ID:

115259

PubChem CID:

50515574

Reduced:

ClO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

581.276883

ΔHf, kcal/mol:

-173.82

Dipole, Da:

3.66

IP(EA), eV:

 -9.03(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC(C)C3=CC=CC=C3)Cl

DOS

IR

Vibrations