Geometry & MOs

Info

ID:

96187

PubChem CID:

50019390

Reduced:

O4N5C33H47 (1)

Stoich.:

A4B5C33D47 (1)

Weight, g/mol:

674.415569

ΔHf, kcal/mol:

-175.94

Dipole, Da:

7.19

IP(EA), eV:

 -8.99(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-5-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)C)C

DOS

IR

Vibrations