Geometry & MOs

Info

ID:	33412
PubChem CID:	7886334
Reduced:	O6C19H20 (1)
Stoich.:	A6B19C20 (1)
Weight, g/mol:	413.086784
ΔH_f, kcal/mol:	-185.77
Dipole, Da:	2.83
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1,3-benzodioxol-5-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

COCC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations