Geometry & MOs

Info

ID:

224091

PubChem CID:

85338095

Reduced:

SO5N6C30H42 (1)

Stoich.:

AB5C6D30E42 (1)

Weight, g/mol:

586.388291

ΔHf, kcal/mol:

-122.11

Dipole, Da:

11.09

IP(EA), eV:

 -8.66(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]carbamoyl]cyclohexyl]-4-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CCN1C2C(CCCN2)N(C(=O)C3C1NCC(C3)CCOC4=CC=CC5=C4CCS(=O)(=O)N5CC6=C[N+](=CC=C6)[O-])C

DOS

IR

Vibrations