Geometry & MOs

Info

ID:	238994
PubChem CID:	93165827
Reduced:	SN2O2C25H30 (1)
Stoich.:	AB2C2D25E30 (1)
Weight, g/mol:	486.09766
ΔH_f, kcal/mol:	-36.29
Dipole, Da:	3.27
IP(EA), eV:	-9.22(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(2R)-butan-2-yl]-N-[[2-[(2,3-dimethylphenoxy)methyl]-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=C(C=C3)C

DOS

IR

Vibrations