Geometry & MOs

Info

ID:	394464
PubChem CID:	135023028
Reduced:	NO3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	485.252586
ΔH_f, kcal/mol:	-117.36
Dipole, Da:	6.05
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-benzamido-3-hydroxy-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C(=C(\C(CC=C)C(=O)OC)/C(=O)OC)/C(CC=C)(C#N)C#N)OC

DOS

IR

Vibrations