Geometry & MOs

Info

ID:	366636
PubChem CID:	127320165
Reduced:	SO3N4C16H26 (1)
Stoich.:	AB3C4D16E26 (1)
Weight, g/mol:	328.147016
ΔH_f, kcal/mol:	-102.78
Dipole, Da:	8.76
IP(EA), eV:	-9.69(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(CC1=CC=NN1)CC(=O)N(C2CCCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations