Geometry & MOs

Info

ID:	437873
PubChem CID:	135227212
Reduced:	SN2O3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	494.292677
ΔH_f, kcal/mol:	-107.32
Dipole, Da:	3.91
IP(EA), eV:	-9.86(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-N-[(1R)-2-ethenyl-1-[(3-propylpyrrolidin-1-yl)sulfonylcarbamoyl]cyclopropyl]-6,6-dimethyl-2-azaspiro[4.5]decane-3-carboxamide

Drug info:

PubChemData

Smile

CCC1C[C@]1(C=C)C(=O)NS(=O)(=O)N2CCCC2

DOS

IR

Vibrations