Geometry & MOs

Info

ID:	239081
PubChem CID:	93165957
Reduced:	ClSN2O4C24H27 (1)
Stoich.:	ABC2D4E24F27 (1)
Weight, g/mol:	474.138006
ΔH_f, kcal/mol:	-95.15
Dipole, Da:	5.45
IP(EA), eV:	-9.03(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-4-chloro-N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=C(C=CC=C2OC)OC)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations