Geometry & MOs

Info

ID:	388958
PubChem CID:	134990759
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	577.097742
ΔH_f, kcal/mol:	-99.06
Dipole, Da:	0.91
IP(EA), eV:	-9.64(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C2=NC=CS2)O

DOS

IR

Vibrations