Geometry & MOs

Info

ID:	192529
PubChem CID:	78281158
Reduced:	N2O6H16C19 (1)
Stoich.:	A2B6C16D19 (1)
Weight, g/mol:	317.179993
ΔH_f, kcal/mol:	-143.2
Dipole, Da:	2.21
IP(EA), eV:	-9.07(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C=CC(=O)OCC(=O)NNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations