Geometry & MOs

Info

ID:	150700
PubChem CID:	53790395
Reduced:	SN4O6C23H28 (1)
Stoich.:	AB4C6D23E28 (1)
Weight, g/mol:	355.023847
ΔH_f, kcal/mol:	-218.99
Dipole, Da:	4.37
IP(EA), eV:	-8.88(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-1,2-benzothiazole-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)NC(=O)CN)C(=O)O

DOS

IR

Vibrations