Geometry & MOs

Info

ID:	45847
PubChem CID:	10518185
Reduced:	SO3N4C12H18 (1)
Stoich.:	AB3C4D12E18 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	-54.46
Dipole, Da:	6.2
IP(EA), eV:	-8.73(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxohexyl)-3,4,5,10-tetrahydroazepino[3,4-b]indol-1-one

Drug info:

PubChemData

Smile

CC(=C1[C@H]2CC[C@@H]1N3N2C(=O)N(C3=O)N=S(=O)(C)C)C

DOS

IR

Vibrations