Geometry & MOs

Info

ID:	45690
PubChem CID:	10516544
Reduced:	NSO2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	275.098
ΔH_f, kcal/mol:	7.47
Dipole, Da:	1.42
IP(EA), eV:	-8.58(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1-benzothiophen-3-ylmethyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C[S@@](=O)C1=CC=CC=C1)N(C2=CC=CC=C2)O

DOS

IR

Vibrations