Geometry & MOs

Info

ID:	137310
PubChem CID:	52188568
Reduced:	O2F3N4C18H25 (1)
Stoich.:	A2B3C4D18E25 (1)
Weight, g/mol:	323.085911
ΔH_f, kcal/mol:	-244.04
Dipole, Da:	8.19
IP(EA), eV:	-9.36(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3-chloro-4-methylanilino)methyl]-3-methyl-6,7,8,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)CN1CCN(CC1)C(=O)NC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations