Geometry & MOs

Info

ID:	175904
PubChem CID:	75967277
Reduced:	S2N4O5H32C33 (1)
Stoich.:	A2B4C5D32E33 (1)
Weight, g/mol:	552.208279
ΔH_f, kcal/mol:	-51.23
Dipole, Da:	7.1
IP(EA), eV:	-8.72(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine

Drug info:

PubChemData

Smile

CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.CN1C(C(=O)C2=CC=CC=C2S1(=O)=O)C(=O)NC3=CC=CC=N3

DOS

IR

Vibrations