Geometry & MOs

Info

ID:	175395
PubChem CID:	75897212
Reduced:	BrSO2N4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	368.094312
ΔH_f, kcal/mol:	-22.89
Dipole, Da:	2.5
IP(EA), eV:	-9.01(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]-4H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC(C)CC(C1=NC2=CC=CC=C2N1)NC(=O)CNC(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations