Geometry & MOs

Info

ID:	239049
PubChem CID:	93165916
Reduced:	ClSN2O2C23H25 (1)
Stoich.:	ABC2D2E23F25 (1)
Weight, g/mol:	472.08201
ΔH_f, kcal/mol:	-28.78
Dipole, Da:	3.87
IP(EA), eV:	-9.01(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(2S)-butan-2-yl]-N-[[2-[(2-methylphenoxy)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(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations