Geometry & MOs

Info

ID:

119743

PubChem CID:

50699577

Reduced:

Cl2N5O6C32H41 (1)

Stoich.:

A2B5C6D32E41 (1)

Weight, g/mol:

762.330789

ΔHf, kcal/mol:

-246.96

Dipole, Da:

5.67

IP(EA), eV:

 -8.82(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)Cl)OC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations