Geometry & MOs

Info

ID:	70115
PubChem CID:	47207860
Reduced:	S2N3O3C11H15 (1)
Stoich.:	A2B3C3D11E15 (1)
Weight, g/mol:	316.091535
ΔH_f, kcal/mol:	-49.06
Dipole, Da:	6.13
IP(EA), eV:	-9.44(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide

Drug info:

PubChemData

Smile

CCCC1=NC(=CS1)CS(=O)(=O)CC2=NOC(=N2)C

DOS

IR

Vibrations