Geometry & MOs

Info

ID:	192195
PubChem CID:	78241214
Reduced:	BrN4O4H17C20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	385.120861
ΔH_f, kcal/mol:	-36.5
Dipole, Da:	5.14
IP(EA), eV:	-8.72(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(benzenesulfonyl)-1-(pyridin-3-ylmethyl)-4,5,6,7a-tetrahydro-3aH-pyrrolo[2,3-d]pyridazin-7-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)N2CC(=O)C(=C2N)C3=NC(=O)C4=CC(C=CC4=N3)Br

DOS

IR

Vibrations