Geometry & MOs

Info

ID:

119479

PubChem CID:

50686916

Reduced:

ClFN6O6C35H38 (1)

Stoich.:

ABC6D6E35F38 (1)

Weight, g/mol:

688.277611

ΔHf, kcal/mol:

-248.01

Dipole, Da:

4.2

IP(EA), eV:

 -8.65(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[3-[3-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3F)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations