Geometry & MOs

Info

ID:	70152
PubChem CID:	47208160
Reduced:	ClSO2N3H10C12 (1)
Stoich.:	ABC2D3E10F12 (1)
Weight, g/mol:	290.072513
ΔH_f, kcal/mol:	-11.13
Dipole, Da:	1.44
IP(EA), eV:	-9.28(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NNC(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations