Geometry & MOs

Info

ID:

104758

PubChem CID:

50105266

Reduced:

ClO5N6C25H29 (1)

Stoich.:

AB5C6D25E29 (1)

Weight, g/mol:

582.235746

ΔHf, kcal/mol:

-192.29

Dipole, Da:

3.43

IP(EA), eV:

 -9.2(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)C(=O)N)Cl

DOS

IR

Vibrations