Geometry & MOs

Info

ID:	263807
PubChem CID:	103399963
Reduced:	ClNSO3H12C15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	277.11365
ΔH_f, kcal/mol:	-85.55
Dipole, Da:	8.68
IP(EA), eV:	-9.17(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yl-2-(3,5-dimethoxyphenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(=O)N2CCC3=C2C=CC(=C3)C(=O)O

DOS

IR

Vibrations