Geometry & MOs

Info

ID:	137066
PubChem CID:	52148140
Reduced:	OSN6C21H26 (1)
Stoich.:	ABC6D21E26 (1)
Weight, g/mol:	361.101561
ΔH_f, kcal/mol:	21.73
Dipole, Da:	1.02
IP(EA), eV:	-8.55(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2=C(N=C1N3CCN(CC3)C4=NC=CC=N4)SC5=C2CCCC5

DOS

IR

Vibrations