Geometry & MOs

Info

ID:

305107

PubChem CID:

124766531

Reduced:

N2O7C12H16 (1)

Stoich.:

A2B7C12D16 (1)

Weight, g/mol:

578.139069

ΔHf, kcal/mol:

-202.81

Dipole, Da:

8.81

IP(EA), eV:

 -8.84(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,3aR,4S,9bR)-1-chloro-4-(4-nitrophenyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)O)[N+](=O)[O-]

DOS

IR

Vibrations