Geometry & MOs

Info

ID:

106156

PubChem CID:

50151082

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-234.99

Dipole, Da:

4.57

IP(EA), eV:

 -9.07(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NC(C)C)C

DOS

IR

Vibrations