Geometry & MOs

Info

ID:	380961
PubChem CID:	134971572
Reduced:	S2I3H5C9 (1)
Stoich.:	A2B3C5D9 (1)
Weight, g/mol:	353.235479
ΔH_f, kcal/mol:	103.85
Dipole, Da:	1.53
IP(EA), eV:	-9.13(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,2-dimethylpropanoyl)-3-ethenyl-4-methyl-4,5-dihydro-3H-2-benzazepin-5-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

C1=CSC(=C1C(C2=C(SC=C2)I)I)I

DOS

IR

Vibrations