Geometry & MOs

Info

ID:

118676

PubChem CID:

50654158

Reduced:

Cl2O5N6C30H38 (1)

Stoich.:

A2B5C6D30E38 (1)

Weight, g/mol:

640.277611

ΔHf, kcal/mol:

-223.38

Dipole, Da:

10.85

IP(EA), eV:

 -9.13(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)Cl

DOS

IR

Vibrations