Geometry & MOs

Info

ID:	206790
PubChem CID:	80302270
Reduced:	FON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	325.04425
ΔH_f, kcal/mol:	-62.48
Dipole, Da:	3.43
IP(EA), eV:	-8.46(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfonyl]benzoic acid

Drug info:

PubChemData

Smile

CC1(CC1)C(C)(CN)NC2=C(C=CC(=C2)OC)F

DOS

IR

Vibrations