Geometry & MOs

Info

ID:	135194
PubChem CID:	51832711
Reduced:	ClSN3O4C26H28 (1)
Stoich.:	ABC3D4E26F28 (1)
Weight, g/mol:	520.310121
ΔH_f, kcal/mol:	-106.81
Dipole, Da:	7.96
IP(EA), eV:	-9.65(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4-fluoro-N-[(1S)-1-(2-methoxynaphthalen-1-yl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)[C@H](C2=CC=C(C=C2)Cl)N(C(=O)C3=CN=CC=C3)C(C)(C)C

DOS

IR

Vibrations