Geometry & MOs

Info

ID:	356184
PubChem CID:	127291220
Reduced:	SN3O3C15H23 (1)
Stoich.:	AB3C3D15E23 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-127.14
Dipole, Da:	6.41
IP(EA), eV:	-8.9(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclobutanecarbonyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC(=O)C2CSCN2C(=O)C3CCC3

DOS

IR

Vibrations