Geometry & MOs

Info

ID:

114894

PubChem CID:

50501322

Reduced:

Cl2N5O5C32H39 (1)

Stoich.:

A2B5C5D32E39 (1)

Weight, g/mol:

700.338461

ΔHf, kcal/mol:

-204.38

Dipole, Da:

8.58

IP(EA), eV:

 -8.91(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[2-methyl-3-(morpholine-4-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations