Geometry & MOs

Info

ID:	177207
PubChem CID:	76147395
Reduced:	NS2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	386.97761
ΔH_f, kcal/mol:	-46.36
Dipole, Da:	5.34
IP(EA), eV:	-9.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromofuran-2-yl)-[3-(furan-2-ylmethylsulfonyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCSC1=CC=CC=C1C(=O)NCC2=CC=C(S2)C(C3=CC=CO3)O

DOS

IR

Vibrations