Geometry & MOs

Info

ID:	419965
PubChem CID:	135110317
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	338.066046
ΔH_f, kcal/mol:	-74.41
Dipole, Da:	5.63
IP(EA), eV:	-9.21(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CC2=CC=CC=C2O)O)CC3=NC=CN=C3

DOS

IR

Vibrations