Geometry & MOs

Info

ID:	448571
PubChem CID:	135291966
Reduced:	OSN4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	311.128821
ΔH_f, kcal/mol:	38.36
Dipole, Da:	3.6
IP(EA), eV:	-9.02(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-4-chloro-2-methyl-3-oxo-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CN[C@@H]1C(NC2=NC(=NS2)C3=CC=CC=C3)O

DOS

IR

Vibrations