Geometry & MOs

Info

ID:	217954
PubChem CID:	85088646
Reduced:	O2C13H19 (2)
Stoich.:	A2B13C19 (2)
Weight, g/mol:	414.06128
ΔH_f, kcal/mol:	-163.4
Dipole, Da:	1.7
IP(EA), eV:	-8.18(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[4-(bromomethyl)-4-hydroxy-5H-1,3-thiazol-2-yl]-2-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC(=CCCC(=CCC1(CCCC1=O)C2=CC(=C(C=C2CCCO)OC)OC)C)C

DOS

IR

Vibrations