Geometry & MOs

Info

ID:	238991
PubChem CID:	93165824
Reduced:	SN2O3C25H30 (1)
Stoich.:	AB2C3D25E30 (1)
Weight, g/mol:	360.187149
ΔH_f, kcal/mol:	-67.93
Dipole, Da:	5.41
IP(EA), eV:	-8.89(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CSC(=N1)COC2=CC=CC(=C2C)C)C(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations