Geometry & MOs

Info

ID:	239086
PubChem CID:	93165963
Reduced:	SN2O5C25H30 (1)
Stoich.:	AB2C5D25E30 (1)
Weight, g/mol:	470.187543
ΔH_f, kcal/mol:	-124.49
Dipole, Da:	4.05
IP(EA), eV:	-8.86(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations