Geometry & MOs

Info

ID:

98476

PubChem CID:

50044406

Reduced:

F2O5N6C34H38 (1)

Stoich.:

A2B5C6D34E38 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-245.85

Dipole, Da:

7.8

IP(EA), eV:

 -9.17(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-oxo-3-[4-(propylcarbamoyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations