Geometry & MOs

Info

ID:	418780
PubChem CID:	135106791
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	358.12772
ΔH_f, kcal/mol:	-17.41
Dipole, Da:	4.26
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)CCC2=NC3=CC=CC=C3S2)CC4=CC=NC=C4

DOS

IR

Vibrations