Geometry & MOs

Info

ID:	138173
PubChem CID:	52323399
Reduced:	FO2N3H22C26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	352.148359
ΔH_f, kcal/mol:	-6.14
Dipole, Da:	5.64
IP(EA), eV:	-9.13(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-[(benzhydrylamino)methyl]-6,7,8,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)N4CCN(CC4)[C@@H](C#N)C5=CC=C(C=C5)F

DOS

IR

Vibrations