Geometry & MOs

Info

ID:	342558
PubChem CID:	127265713
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-63.87
Dipole, Da:	3.65
IP(EA), eV:	-8.61(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxy-4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NC(=O)C=CC2=CC(=C(C=C2)OC)O

DOS

IR

Vibrations