Geometry & MOs

Info

ID:

118285

PubChem CID:

50636957

Reduced:

ClO5N6C41H57 (1)

Stoich.:

AB5C6D41E57 (1)

Weight, g/mol:

640.313996

ΔHf, kcal/mol:

-250.16

Dipole, Da:

10.51

IP(EA), eV:

 -8.84(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC=C4C(=O)NC5CCCCC5)C

DOS

IR

Vibrations