Geometry & MOs

Info

ID:	141560
PubChem CID:	52893698
Reduced:	SN4O4H9C15 (1)
Stoich.:	AB4C4D9E15 (1)
Weight, g/mol:	334.135114
ΔH_f, kcal/mol:	13.31
Dipole, Da:	1.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.159889
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)C4=NN=C(C=C4)[O-]

DOS

IR

Vibrations