Geometry & MOs

Info

ID:	221433
PubChem CID:	85273693
Reduced:	N2O2C7H10 (2)
Stoich.:	A2B2C7D10 (2)
Weight, g/mol:	308.092974
ΔH_f, kcal/mol:	-163.97
Dipole, Da:	3.43
IP(EA), eV:	-9.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-methyl-4-(methylsulfonyloxymethyl)cyclopentane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCNC(=O)CC(C(=O)N)N

DOS

IR

Vibrations