Geometry & MOs

Info

ID:	425595
PubChem CID:	135126837
Reduced:	Cl2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	284.112939
ΔH_f, kcal/mol:	-41.29
Dipole, Da:	2.83
IP(EA), eV:	-9.48(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadec-8-ene-5-thiol

Drug info:

PubChemData

Smile

C1CC(OC1)C2=NN(C(=O)C=C2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations