Geometry & MOs

Info

ID:	382392
PubChem CID:	134973524
Reduced:	SN2O5H14C15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-163.59
Dipole, Da:	7.57
IP(EA), eV:	-9.25(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (2S,5R,7R)-2-methyl-8,9-diazatricyclo[5.4.0.02,5]undec-1(11)-ene-8,9-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)CC(=O)/C(=C\1/C2=CC=CC=C2NC(=S)N1)/C(=O)OC

DOS

IR

Vibrations