Geometry & MOs

Info

ID:	193255
PubChem CID:	78365166
Reduced:	SN4O4H16C19 (1)
Stoich.:	AB4C4D16E19 (1)
Weight, g/mol:	397.127385
ΔH_f, kcal/mol:	-2.74
Dipole, Da:	9.55
IP(EA), eV:	-9.29(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,5-dimethoxy-2-[[2-(4-oxo-1H-phthalazin-1-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1C=C2C(=NC(=NC2=O)CSC3=NC(=O)C4C=CC=CC4=N3)C=C1OC

DOS

IR

Vibrations