Geometry & MOs

Info

ID:	314021
PubChem CID:	126619626
Reduced:	ISN4O4C23H29 (1)
Stoich.:	ABC4D4E23F29 (1)
Weight, g/mol:	334.135114
ΔH_f, kcal/mol:	-133.25
Dipole, Da:	3.01
IP(EA), eV:	-9.19(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)I)O

DOS

IR

Vibrations