Geometry & MOs

Info

ID:	61597
PubChem CID:	26710874
Reduced:	O2N3S3H19C20 (1)
Stoich.:	A2B3C3D19E20 (1)
Weight, g/mol:	426.082033
ΔH_f, kcal/mol:	-10.69
Dipole, Da:	5.0
IP(EA), eV:	-8.71(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)CNC(=O)CCN3C(=O)CSC4=CC=CC=C43

DOS

IR

Vibrations