Geometry & MOs

Info

ID:	284746
PubChem CID:	104067416
Reduced:	SO2N3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	314.033683
ΔH_f, kcal/mol:	13.32
Dipole, Da:	5.42
IP(EA), eV:	-9.16(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SC2=NC3=CC=NN3C=C2)C(=O)O

DOS

IR

Vibrations