Geometry & MOs

Info

ID:	58739
PubChem CID:	24714798
Reduced:	N4O4C15H18 (1)
Stoich.:	A4B4C15D18 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	9.11
Dipole, Da:	6.32
IP(EA), eV:	-10.12(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C=CCCC(CNCC1=NC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations