Geometry & MOs

Info

ID:	216416
PubChem CID:	85086203
Reduced:	SN2O4C11H12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	266.151809
ΔH_f, kcal/mol:	-72.78
Dipole, Da:	3.26
IP(EA), eV:	-9.36(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 10-(hydroxymethyl)-10-methyl-9-oxotricyclo[5.3.1.03,8]undecane-2-carboxylate

Drug info:

PubChemData

Smile

C1C2C(CO2)OC1N3C4C=CSC4C(=O)NC3=O

DOS

IR

Vibrations