Geometry & MOs

Info

ID:	404421
PubChem CID:	135066276
Reduced:	NO3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	525.182124
ΔH_f, kcal/mol:	-73.73
Dipole, Da:	1.44
IP(EA), eV:	-8.69(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl [(2S,3R)-1-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-1-oxo-3-phenylpropan-2-yl] carbonate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[C@H]2CC(=O)C3=CC=CC=C3N2)O

DOS

IR

Vibrations