Geometry & MOs

Info

ID:

114589

PubChem CID:

50489429

Reduced:

FO5N6C39H41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-180.14

Dipole, Da:

3.59

IP(EA), eV:

 -8.72(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations