Geometry & MOs

Info

ID:	238996
PubChem CID:	93165830
Reduced:	BrSN2O2C24H27 (1)
Stoich.:	ABC2D2E24F27 (1)
Weight, g/mol:	398.146427
ΔH_f, kcal/mol:	-23.47
Dipole, Da:	4.23
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-4-fluoro-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CSC(=N1)COC2=CC=CC(=C2C)C)C(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations