Geometry & MOs

Info

ID:	146696
PubChem CID:	53730934
Reduced:	SO2N5C13H13 (1)
Stoich.:	AB2C5D13E13 (1)
Weight, g/mol:	308.198759
ΔH_f, kcal/mol:	60.58
Dipole, Da:	3.72
IP(EA), eV:	-9.23(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-tert-butyl 1-O-cyclohexyl cyclohexene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C1C[C@H]2C3=C(N=CN3C4=C(C(=O)N2C1)SC=C4)C=NON

DOS

IR

Vibrations