Geometry & MOs

Info

ID:

105617

PubChem CID:

50130634

Reduced:

ClO4N5C32H44 (1)

Stoich.:

AB4C5D32E44 (1)

Weight, g/mol:

674.415569

ΔHf, kcal/mol:

-194.85

Dipole, Da:

6.96

IP(EA), eV:

 -8.58(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C)Cl)C

DOS

IR

Vibrations