Geometry & MOs

Info

ID:	239067
PubChem CID:	93165939
Reduced:	NSO2C11H13 (2)
Stoich.:	ABC2D11E13 (2)
Weight, g/mol:	470.187543
ΔH_f, kcal/mol:	-79.78
Dipole, Da:	5.34
IP(EA), eV:	-8.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=C(C=CC=C2OC)OC)C(=O)C3=CC=CS3

DOS

IR

Vibrations