Geometry & MOs

Info

ID:	358097
PubChem CID:	127295642
Reduced:	N3O3C15H25 (1)
Stoich.:	A3B3C15D25 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-121.63
Dipole, Da:	1.67
IP(EA), eV:	-8.76(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-4-(2-cyclopentylacetyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)CCC(=O)N3CCC3

DOS

IR

Vibrations