Geometry & MOs

Info

ID:	237404
PubChem CID:	92719056
Reduced:	ClOSN4C23H25 (1)
Stoich.:	ABCD4E23F25 (1)
Weight, g/mol:	393.112268
ΔH_f, kcal/mol:	48.19
Dipole, Da:	2.57
IP(EA), eV:	-9.5(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-7-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations