Geometry & MOs

Info

ID:	38338
PubChem CID:	8030764
Reduced:	N2O3C26H28 (1)
Stoich.:	A2B3C26D28 (1)
Weight, g/mol:	269.043439
ΔH_f, kcal/mol:	-59.51
Dipole, Da:	4.55
IP(EA), eV:	-8.94(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-difluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

Drug info:

PubChemData

Smile

CC[C@H](C)C(=O)N([C@H]1C[C@@H](N(C2=CC=CC=C12)C(=O)C3=CC=CO3)C)C4=CC=CC=C4

DOS

IR

Vibrations