Geometry & MOs

Info

ID:	239022
PubChem CID:	93165878
Reduced:	SN2O2C20H26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	412.162077
ΔH_f, kcal/mol:	-30.2
Dipole, Da:	4.9
IP(EA), eV:	-8.9(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CSC(=N1)COC2=CC=C(C=C2)C)C(=O)C3CC3

DOS

IR

Vibrations