Geometry & MOs

Info

ID:	186835
PubChem CID:	77491402
Reduced:	N4O4C37H46 (1)
Stoich.:	A4B4C37D46 (1)
Weight, g/mol:	371.139151
ΔH_f, kcal/mol:	-93.14
Dipole, Da:	4.04
IP(EA), eV:	-8.25(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(methylamino)pyrrolidin-1-yl]-8-(trifluoromethyl)-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-d]pyrimidin-6-amine

Drug info:

PubChemData

Smile

CCN(CC)CCN(C)C1=CC=C(C=C1)N2C=CC(=CC2=O)OCC3=CC=CC=C3.C1CNC(=O)CC1OCC2=CC=CC=C2

DOS

IR

Vibrations