Geometry & MOs

Info

ID:	358099
PubChem CID:	127295644
Reduced:	N3O3C17H29 (1)
Stoich.:	A3B3C17D29 (1)
Weight, g/mol:	390.208947
ΔH_f, kcal/mol:	-147.06
Dipole, Da:	3.09
IP(EA), eV:	-9.34(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)N3CCOCC3

DOS

IR

Vibrations