Geometry & MOs

Info

ID:	358758
PubChem CID:	127296585
Reduced:	SO2N4C16H26 (1)
Stoich.:	AB2C4D16E26 (1)
Weight, g/mol:	351.198048
ΔH_f, kcal/mol:	-71.26
Dipole, Da:	5.5
IP(EA), eV:	-8.59(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propoxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations