Geometry & MOs

Info

ID:	431969
PubChem CID:	135172097
Reduced:	SN3O3C26H39 (1)
Stoich.:	AB3C3D26E39 (1)
Weight, g/mol:	228.111007
ΔH_f, kcal/mol:	-131.17
Dipole, Da:	5.93
IP(EA), eV:	-8.48(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2=NC(=CS2)C3CCOCC3

DOS

IR

Vibrations