Geometry & MOs

Info

ID:

118858

PubChem CID:

50661431

Reduced:

ClN5O6C32H42 (1)

Stoich.:

AB5C6D32E42 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-247.06

Dipole, Da:

5.86

IP(EA), eV:

 -8.28(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations