Geometry & MOs

Info

ID:

103890

PubChem CID:

50080794

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-226.82

Dipole, Da:

14.21

IP(EA), eV:

 -8.68(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-oxo-1-[4-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations