Geometry & MOs

Info

ID:	208743
PubChem CID:	80574535
Reduced:	SO2N4C8H8 (1)
Stoich.:	AB2C4D8E8 (1)
Weight, g/mol:	296.155849
ΔH_f, kcal/mol:	-7.35
Dipole, Da:	4.09
IP(EA), eV:	-8.8(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[cycloheptyl(methyl)amino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

C1=C(C=NN1)NC2=NC(=CS2)CC(=O)O

DOS

IR

Vibrations