Geometry & MOs

Info

ID:	417552
PubChem CID:	135102026
Reduced:	SN4O4C16H26 (1)
Stoich.:	AB4C4D16E26 (1)
Weight, g/mol:	320.184841
ΔH_f, kcal/mol:	-136.65
Dipole, Da:	3.33
IP(EA), eV:	-9.21(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CN(C)CC2=CN=CC=C2

DOS

IR

Vibrations