Geometry & MOs

Info

ID:	206041
PubChem CID:	80193350
Reduced:	NS2O4C11H17 (1)
Stoich.:	AB2C4D11E17 (1)
Weight, g/mol:	304.101227
ΔH_f, kcal/mol:	-155.36
Dipole, Da:	5.49
IP(EA), eV:	-9.67(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-4-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-1-ethylpyrrole

Drug info:

PubChemData

Smile

CC1(CCCO1)CNS(=O)(=O)C2=C(SC=C2)CO

DOS

IR

Vibrations