Geometry & MOs

Info

ID:

113916

PubChem CID:

50463585

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

637.362805

ΔHf, kcal/mol:

-248.11

Dipole, Da:

7.83

IP(EA), eV:

 -8.7(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2-methylcyclohexyl)carbamoyl]phenyl]-1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC=C4C(=O)NC5=C(C=C(C=C5)F)C)C)C)F

DOS

IR

Vibrations