Geometry & MOs

Info

ID:

105757

PubChem CID:

50139392

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-265.07

Dipole, Da:

6.83

IP(EA), eV:

 -8.9(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2-methylcyclohexyl)carbamoyl]phenyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)NCC(C)C

DOS

IR

Vibrations