Geometry & MOs

Info

ID:	209919
PubChem CID:	80739235
Reduced:	ClNOS2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	285.004884
ΔH_f, kcal/mol:	17.03
Dipole, Da:	1.97
IP(EA), eV:	-8.78(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(chloromethyl)pyrrolidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone

Drug info:

PubChemData

Smile

C1CC1N(CCCl)C(=O)C2=CC3=C(S2)C=CS3

DOS

IR

Vibrations