Geometry & MOs

Info

ID:	56430
PubChem CID:	17425432
Reduced:	OS2N5C15H15 (1)
Stoich.:	AB2C5D15E15 (1)
Weight, g/mol:	466.203862
ΔH_f, kcal/mol:	90.54
Dipole, Da:	2.01
IP(EA), eV:	-9.06(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)ethyl]-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CSC3=NN=CS3

DOS

IR

Vibrations