Geometry & MOs

Info

ID:	176504
PubChem CID:	76061775
Reduced:	NPO11C26H31 (1)
Stoich.:	ABC11D26E31 (1)
Weight, g/mol:	362.227721
ΔH_f, kcal/mol:	-452.59
Dipole, Da:	0.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758948
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclohexyl] propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C(CCC(C2C(C(C(C(O2)(O)[P+](=O)O)O)O)O)O)C(=O)CCC3=CC=CC=C3C(=O)N

DOS

IR

Vibrations