Geometry & MOs

Info

ID:	269682
PubChem CID:	103618628
Reduced:	SO2N3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	267.140533
ΔH_f, kcal/mol:	-28.29
Dipole, Da:	1.14
IP(EA), eV:	-8.47(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)NC(=O)C4

DOS

IR

Vibrations