Geometry & MOs

Info

ID:

119471

PubChem CID:

50686616

Reduced:

Cl2N6O6C37H48 (1)

Stoich.:

A2B6C6D37E48 (1)

Weight, g/mol:

702.269939

ΔHf, kcal/mol:

-257.12

Dipole, Da:

9.14

IP(EA), eV:

 -9.03(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[1-[2-chloro-5-(propylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations