Geometry & MOs

Info

ID:	31807
PubChem CID:	3719476
Reduced:	SN3O3C17H29 (1)
Stoich.:	AB3C3D17E29 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-127.58
Dipole, Da:	2.06
IP(EA), eV:	-9.04(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-pyrrolidin-1-ylphenyl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

CCC(C)C(C1=NN=C(O1)SCC=C(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations