Geometry & MOs

Info

ID:	46479
PubChem CID:	10524629
Reduced:	NSO3C23H23 (1)
Stoich.:	ABC3D23E23 (1)
Weight, g/mol:	393.251523
ΔH_f, kcal/mol:	-38.28
Dipole, Da:	4.51
IP(EA), eV:	-8.51(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,6-trimethylphenoxy)butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CCS(=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations