Geometry & MOs

Info

ID:	44587
PubChem CID:	10504225
Reduced:	SO2N3C27H31 (1)
Stoich.:	AB2C3D27E31 (1)
Weight, g/mol:	461.25975
ΔH_f, kcal/mol:	-14.56
Dipole, Da:	7.23
IP(EA), eV:	-8.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylcyclohex-2-en-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

Drug info:

PubChemData

Smile

C1[C@H](NC(S1)C2=CN=CC=C2)C(=O)NCC3=CC=C(C=C3)OCCCCCC4=CC=CC=C4

DOS

IR

Vibrations