Geometry & MOs

Info

ID:	416588
PubChem CID:	135089736
Reduced:	ON6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	371.105211
ΔH_f, kcal/mol:	55.28
Dipole, Da:	8.42
IP(EA), eV:	-9.18(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzothiazol-2-yl)ethyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

COCCN1C=CN=C1CN2CCC3=NN=C(N3CC2)CC4=CC=CC=C4

DOS

IR

Vibrations