Geometry & MOs

Info

ID:

168826

PubChem CID:

75024195

Reduced:

SN8O8C29H42 (1)

Stoich.:

AB8C8D29E42 (1)

Weight, g/mol:

509.26654

ΔHf, kcal/mol:

-324.02

Dipole, Da:

2.68

IP(EA), eV:

 -9.26(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[2-(1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CN=CN2)C(=O)O)N

DOS

IR

Vibrations