Geometry & MOs

Info

ID:	37908
PubChem CID:	8025463
Reduced:	BrNOC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	414.136176
ΔH_f, kcal/mol:	-8.11
Dipole, Da:	3.26
IP(EA), eV:	-9.59(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-3-propyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations