Geometry & MOs

Info

ID:	431157
PubChem CID:	135171227
Reduced:	SO2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	441.138833
ΔH_f, kcal/mol:	-7.1
Dipole, Da:	3.62
IP(EA), eV:	-8.6(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-4-phosphanyl-6-[5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-ylidene]thieno[3,2-b]pyridine-5,7-dione

Drug info:

PubChemData

Smile

CCN(C1CC(CS(=O)C1)NCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations