Geometry & MOs

Info

ID:	154163
PubChem CID:	56313564
Reduced:	BrSO2N4H17C22 (1)
Stoich.:	ABC2D4E17F22 (1)
Weight, g/mol:	477.04365
ΔH_f, kcal/mol:	22.24
Dipole, Da:	3.29
IP(EA), eV:	-9.2(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations