Geometry & MOs

Info

ID:	193121
PubChem CID:	78346991
Reduced:	SCl2N2O2H16C22 (1)
Stoich.:	AB2C2D2E16F22 (1)
Weight, g/mol:	189.096109
ΔH_f, kcal/mol:	26.47
Dipole, Da:	4.51
IP(EA), eV:	-9.01(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3C(=NC(=NC3=O)C=CC4=CC=C(O4)C5=C(C(=CC=C5)Cl)Cl)S2

DOS

IR

Vibrations