Geometry & MOs

Info

ID:	305900
PubChem CID:	124973766
Reduced:	S2O3N6C18H22 (1)
Stoich.:	A2B3C6D18E22 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-32.75
Dipole, Da:	8.62
IP(EA), eV:	-8.01(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-[(2R)-1-(2-thiophen-2-ylacetyl)pyrrolidin-2-yl]pyridin-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC2=CC=CC(=N2)[C@@H]3CN(CCO3)S(=O)(=O)C4=CN(C=N4)C)C

DOS

IR

Vibrations