Geometry & MOs

Info

ID:

120606

PubChem CID:

50736856

Reduced:

F2O4N5C29H35 (1)

Stoich.:

A2B4C5D29E35 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-230.21

Dipole, Da:

6.23

IP(EA), eV:

 -8.75(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C(=O)N(C)C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations