Geometry & MOs

Info

ID:	240871
PubChem CID:	93617907
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-74.79
Dipole, Da:	7.3
IP(EA), eV:	-8.67(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCC[C@H]2C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations