Geometry & MOs

Info

ID:	58742
PubChem CID:	24714803
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-66.17
Dipole, Da:	4.26
IP(EA), eV:	-8.63(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CNCCCOC)C

DOS

IR

Vibrations