Geometry & MOs

Info

ID:	37946
PubChem CID:	8025764
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	408.14337
ΔH_f, kcal/mol:	-135.56
Dipole, Da:	6.29
IP(EA), eV:	-8.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=O)[C@H]2CC(=O)N(C2)C3=CC(=CC=C3)SC

DOS

IR

Vibrations