Geometry & MOs

Info

ID:	239062
PubChem CID:	93165934
Reduced:	SN2O5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	378.161329
ΔH_f, kcal/mol:	-112.55
Dipole, Da:	4.97
IP(EA), eV:	-8.86(-0.62)
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]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CSC(=N1)COC2=C(C=CC=C2OC)OC)C(=O)C3=CC=CO3

DOS

IR

Vibrations