Geometry & MOs

Info

ID:

117217

PubChem CID:

50595086

Reduced:

ClFO5N6C41H50 (1)

Stoich.:

ABC5D6E41F50 (1)

Weight, g/mol:

708.222988

ΔHf, kcal/mol:

-256.26

Dipole, Da:

5.96

IP(EA), eV:

 -9.05(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2-chlorobenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCCC4)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations