Geometry & MOs

Info

ID:	208700
PubChem CID:	80568169
Reduced:	SO2N5C11H15 (1)
Stoich.:	AB2C5D11E15 (1)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	-7.32
Dipole, Da:	3.42
IP(EA), eV:	-9.31(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CSC(=N1)NC(C)C2=NN=CN2C

DOS

IR

Vibrations