Geometry & MOs

Info

ID:

103531

PubChem CID:

50071694

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

632.251396

ΔHf, kcal/mol:

-233.72

Dipole, Da:

12.63

IP(EA), eV:

 -8.43(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-carbamoyl-3-chloroanilino)-3-oxopropyl]-1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations