Geometry & MOs

Info

ID:	230760
PubChem CID:	87571943
Reduced:	ClSO2N3C24H24 (1)
Stoich.:	ABC2D3E24F24 (1)
Weight, g/mol:	358.238628
ΔH_f, kcal/mol:	-16.9
Dipole, Da:	3.56
IP(EA), eV:	-8.77(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)SC(=C2C3=CC(=NC=C3)C4=CC(=NC=C4)Cl)N5CCOCC5)C

DOS

IR

Vibrations