Geometry & MOs

Info

ID:

120162

PubChem CID:

50716117

Reduced:

ClFO4N5C34H43 (1)

Stoich.:

ABC4D5E34F43 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-219.0

Dipole, Da:

2.93

IP(EA), eV:

 -8.66(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-methyl-6-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl)F

DOS

IR

Vibrations