Geometry & MOs

Info

ID:	414411
PubChem CID:	135087369
Reduced:	NSO4C18H27 (1)
Stoich.:	ABC4D18E27 (1)
Weight, g/mol:	358.182733
ΔH_f, kcal/mol:	-157.26
Dipole, Da:	5.58
IP(EA), eV:	-8.93(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]amino]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)S(=O)(=O)CCOC3=CC=CC=C3

DOS

IR

Vibrations