Geometry & MOs

Info

ID:	239080
PubChem CID:	93165956
Reduced:	SN2O4C23H32 (1)
Stoich.:	AB2C4D23E32 (1)
Weight, g/mol:	474.138006
ΔH_f, kcal/mol:	-126.22
Dipole, Da:	3.42
IP(EA), eV:	-8.64(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-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)C3CCCC3

DOS

IR

Vibrations