Geometry & MOs

Info

ID:

117083

PubChem CID:

50588577

Reduced:

ClO5N6C41H55 (1)

Stoich.:

AB5C6D41E55 (1)

Weight, g/mol:

658.243724

ΔHf, kcal/mol:

-234.85

Dipole, Da:

9.06

IP(EA), eV:

 -8.91(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-chloro-2-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)C(=O)NC6CCCCC6)C)Cl

DOS

IR

Vibrations