Geometry & MOs

Info

ID:	161547
PubChem CID:	57391954
Reduced:	SN2Cl4H6C14 (1)
Stoich.:	AB2C4D6E14 (1)
Weight, g/mol:	362.079038
ΔH_f, kcal/mol:	74.36
Dipole, Da:	2.18
IP(EA), eV:	-9.6(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,10S)-14,21-dioxo-3,12-dioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,15,17,19-heptaene-7-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)C2=NSC(=N2)C3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations