Geometry & MOs

Info

ID:

116904

PubChem CID:

50580288

Reduced:

Cl3O4N5C33H42 (1)

Stoich.:

A3B4C5D33E42 (1)

Weight, g/mol:

637.303097

ΔHf, kcal/mol:

-193.17

Dipole, Da:

6.36

IP(EA), eV:

 -8.91(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Cl)Cl)Cl

DOS

IR

Vibrations