Geometry & MOs

Info

ID:

119129

PubChem CID:

50670421

Reduced:

BrCl2O4N5C29H34 (1)

Stoich.:

AB2C4D5E29F34 (1)

Weight, g/mol:

640.277611

ΔHf, kcal/mol:

-142.57

Dipole, Da:

7.26

IP(EA), eV:

 -9.31(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[5-(dimethylcarbamoyl)-2-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Br)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl

DOS

IR

Vibrations