Geometry & MOs

Info

ID:	408799
PubChem CID:	135081567
Reduced:	C15H23 (1)
Stoich.:	A15B23 (1)
Weight, g/mol:	189.98707
ΔH_f, kcal/mol:	26.34
Dipole, Da:	0.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.908775
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-2,8-dioxa-1lambda4-thia-4,6-diazabicyclo[3.3.0]octa-1(5),3,6-triene

Drug info:

PubChemData

Smile

CC(=C)[CH]CC[C@@]1(C2C[C@H]3C1([C@H]3C2)C)C

DOS

IR

Vibrations