Geometry & MOs

Info

ID:	37751
PubChem CID:	8024098
Reduced:	SN2O3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	-50.69
Dipole, Da:	6.78
IP(EA), eV:	-8.34(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N[C@@H]2CCSC3=CC=CC=C23)NC(=O)C4=CC=CO4

DOS

IR

Vibrations