Geometry & MOs

Info

ID:

95073

PubChem CID:

50006133

Reduced:

SO4N7C29H41 (1)

Stoich.:

AB4C7D29E41 (1)

Weight, g/mol:

629.318889

ΔHf, kcal/mol:

-139.67

Dipole, Da:

10.07

IP(EA), eV:

 -8.77(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations