Geometry & MOs

Info

ID:

185959

PubChem CID:

77373836

Reduced:

NaS2N3O9H23C27 (1)

Stoich.:

AB2C3D9E23F27 (1)

Weight, g/mol:

719.231762

ΔHf, kcal/mol:

-235.2

Dipole, Da:

17.91

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.874526

Charge, e:

 0

Chem-info

IUPAC name:

4-benzyl-N,N-bis[3-(3-chlorophenyl)-3-oxopropyl]-5-methoxy-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)OCC4=C(N5C(C(C5=O)NC(=O)CC6=CC=CS6)SC4)C(=O)O.[Na]

DOS

IR

Vibrations