Geometry & MOs

Info

ID:

174564

PubChem CID:

75785399

Reduced:

SO2N4H21C25 (1)

Stoich.:

AB2C4D21E25 (1)

Weight, g/mol:

450.255229

ΔHf, kcal/mol:

39.77

Dipole, Da:

4.8

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.111086

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dicyclohexyl-1,3-dioxo-3a,4,5,6,6a,7,8,9,9a,9b-decahydrobenzo[de]isoquinoline-5-sulfonamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)C3=CC=CC=C3)NC(CC4=CNC5=CC=CC=C54)C(=O)[O-]

DOS

IR

Vibrations