Geometry & MOs

Info

ID:	187109
PubChem CID:	77530796
Reduced:	SO2N4C16H32 (1)
Stoich.:	AB2C4D16E32 (1)
Weight, g/mol:	477.204386
ΔH_f, kcal/mol:	-104.96
Dipole, Da:	4.06
IP(EA), eV:	-8.68(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-2-[[5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpyridin-3-yl]amino]-5,7-dihydropyrimido[5,4-i][1]benzazepin-6-one

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)CNCCN2C3CCC2CC(C3)N

DOS

IR

Vibrations