Geometry & MOs

Info

ID:	135383
PubChem CID:	51864541
Reduced:	FOSN2C20H26 (1)
Stoich.:	ABCD2E20F26 (1)
Weight, g/mol:	389.189889
ΔH_f, kcal/mol:	-42.52
Dipole, Da:	8.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.942234
Charge, e:	1

Chem-info

IUPAC name:

3-methoxy-4-propan-2-yloxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)NC[C@H](C3=CC(=CC=C3)F)[NH+](C)C

DOS

IR

Vibrations