Geometry & MOs

Info

ID:	178226
PubChem CID:	76298457
Reduced:	N2O2S3H12C18 (1)
Stoich.:	A2B2C3D12E18 (1)
Weight, g/mol:	404.0484
ΔH_f, kcal/mol:	49.83
Dipole, Da:	6.16
IP(EA), eV:	-8.25(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-2-oxopiperidin-3-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CSC(=N3)C4=CC=CO4)SC2=S

DOS

IR

Vibrations