Geometry & MOs

Info

ID:	177443
PubChem CID:	76185818
Reduced:	ClN3O8C21H24 (1)
Stoich.:	AB3C8D21E24 (1)
Weight, g/mol:	393.132471
ΔH_f, kcal/mol:	-330.17
Dipole, Da:	6.09
IP(EA), eV:	-8.31(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-hydroxy-1-(naphthalen-2-ylmethyl)-2-oxo-3,4-dihydropyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1(C2CC3CC(=O)C(=C(C3(C(C2C(=O)C4=C1C(=C(C(=C4O)N)Cl)NC)O)O)O)C(=O)N)O

DOS

IR

Vibrations