Geometry & MOs

Info

ID:

105828

PubChem CID:

50139689

Reduced:

Cl2O4N5C34H45 (1)

Stoich.:

A2B4C5D34E45 (1)

Weight, g/mol:

691.311217

ΔHf, kcal/mol:

-193.24

Dipole, Da:

6.56

IP(EA), eV:

 -8.74(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(trifluoromethyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C(=CC=C4)Cl)Cl)C

DOS

IR

Vibrations