Geometry & MOs

Info

ID:	35602
PubChem CID:	7980088
Reduced:	NSO3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	341.083413
ΔH_f, kcal/mol:	-77.82
Dipole, Da:	2.37
IP(EA), eV:	-9.01(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-methyl-4-(4-nitrophenoxy)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)CSC2=CC=CC=C2

DOS

IR

Vibrations