Geometry & MOs

Info

ID:	209809
PubChem CID:	80725049
Reduced:	SO3C17H20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	256.19732
ΔH_f, kcal/mol:	-107.99
Dipole, Da:	6.71
IP(EA), eV:	-8.71(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methylthiolan-2-yl)methyl]-3-propyl-1,4-diazepane

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC2=C(SC(=C2)C(=O)O)C

DOS

IR

Vibrations