Geometry & MOs

Info

ID:	153541
PubChem CID:	56312787
Reduced:	ClSN2O4C23H29 (1)
Stoich.:	ABC2D4E23F29 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-146.4
Dipole, Da:	3.29
IP(EA), eV:	-9.5(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-(3-phenylbutyl)-3-propan-2-ylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC(C)C3=CC=CC=C3)Cl

DOS

IR

Vibrations