Geometry & MOs

Info

ID:

186727

PubChem CID:

77474243

Reduced:

SO4N5C23H37 (1)

Stoich.:

AB4C5D23E37 (1)

Weight, g/mol:

478.27669

ΔHf, kcal/mol:

-167.15

Dipole, Da:

5.7

IP(EA), eV:

 -8.46(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethylcarbamoyl]-N-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide

Drug info:

PubChemData

Smile

CCCN(C(=O)C1CC2CC3=C(CC2N(C1)C)SC(=C3C(=O)OC)N)C(=O)NCCN(C)C

DOS

IR

Vibrations