Geometry & MOs

Info

ID:	189340
PubChem CID:	77842073
Reduced:	O2N3H15C18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	650.2273
ΔH_f, kcal/mol:	32.56
Dipole, Da:	7.93
IP(EA), eV:	-8.54(-2.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(3-methyl-8-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl) but-2-enedioate

Drug info:

PubChemData

Smile

CCN1C2=CC3=NC(=C4C=CC(=O)C=C4)NC3=CC2=C(C1=O)C

DOS

IR

Vibrations