Geometry & MOs

Info

ID:	206831
PubChem CID:	80306549
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	-54.23
Dipole, Da:	3.42
IP(EA), eV:	-8.46(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butyl-1,3-thiazol-2-yl)methyl 2-(4-aminophenyl)acetate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)COC2=C(C=CC(=C2)OC)CC(C)N)C

DOS

IR

Vibrations