Geometry & MOs

Info

ID:	189047
PubChem CID:	77808649
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	489.316002
ΔH_f, kcal/mol:	10.57
Dipole, Da:	3.57
IP(EA), eV:	-9.0(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC12C(CCC3=CC=CC=C31)N(C(=O)CC2SC4=NC=CC=N4)C

DOS

IR

Vibrations