Geometry & MOs

Info

ID:	46120
PubChem CID:	10522138
Reduced:	PN3O5C15H22 (1)
Stoich.:	AB3C5D15E22 (1)
Weight, g/mol:	355.124215
ΔH_f, kcal/mol:	-243.02
Dipole, Da:	4.59
IP(EA), eV:	-9.21(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-2-(1-benzylpyrrolidin-2-ylidene)-4-oxo-4-thiophen-2-ylbutanoate

Drug info:

PubChemData

Smile

CCOP(=O)(CN1C2=CC=CC=C2N=C1C[C@H](C(=O)O)N)OCC

DOS

IR

Vibrations