Geometry & MOs

Info

ID:

112725

PubChem CID:

50417389

Reduced:

ClO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-222.69

Dipole, Da:

13.01

IP(EA), eV:

 -8.65(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-[1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NCC(C)C)C

DOS

IR

Vibrations