Geometry & MOs

Info

ID:	126885
PubChem CID:	50983150
Reduced:	SO2N6C16H20 (1)
Stoich.:	AB2C6D16E20 (1)
Weight, g/mol:	370.12772
ΔH_f, kcal/mol:	8.86
Dipole, Da:	8.34
IP(EA), eV:	-9.19(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C)C1=NN=C(S1)NC(=O)C2=C3N=CC(=CN3N=C2)CCO

DOS

IR

Vibrations