Geometry & MOs

Info

ID:	388957
PubChem CID:	134990758
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	320.119464
ΔH_f, kcal/mol:	-120.77
Dipole, Da:	6.01
IP(EA), eV:	-8.24(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R)-2-hydroxy-1-phenyl-2-(1,3-thiazol-2-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

CC[C@]1(CCC(=O)N2[C@H]1C3=C(CC2)C4=CC=CC=C4N3)CCC(=O)OC

DOS

IR

Vibrations