Geometry & MOs

Info

ID:	343796
PubChem CID:	127266972
Reduced:	OSN3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	319.171834
ΔH_f, kcal/mol:	-49.56
Dipole, Da:	4.39
IP(EA), eV:	-7.94(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-[(5-methylthiolan-3-yl)amino]phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CS1)NC2=CC=C(C=C2)NC(=O)N3CCCCCC3

DOS

IR

Vibrations