Geometry & MOs

Info

ID:	28380
PubChem CID:	827297
Reduced:	ClNS2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	35.23
Dipole, Da:	1.29
IP(EA), eV:	-8.56(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CN(C)CCS[C@@H]1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

DOS

IR

Vibrations