Geometry & MOs

Info

ID:	401486
PubChem CID:	135051406
Reduced:	I2P2C23H34 (1)
Stoich.:	A2B2C23D34 (1)
Weight, g/mol:	323.010842
ΔH_f, kcal/mol:	-36.06
Dipole, Da:	12.07
IP(EA), eV:	-7.51(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-1-pyrrolidin-1-yl-5-sulfanylidene-7-oxa-2,6-dithiabicyclo[2.2.1]heptan-3-one

Drug info:

PubChemData

Smile

CCP1(CCCP(C2=CC=CC=C2C3=CC=CC=C31)(CC)(CC)I)(CC)I

DOS

IR

Vibrations