Geometry & MOs

Info

ID:

111985

PubChem CID:

50389933

Reduced:

Cl2O4N5C29H35 (1)

Stoich.:

A2B4C5D29E35 (1)

Weight, g/mol:

728.462519

ΔHf, kcal/mol:

-172.82

Dipole, Da:

4.44

IP(EA), eV:

 -9.03(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations