Geometry & MOs

Info

ID:	401905
PubChem CID:	135053299
Reduced:	OSH18C19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	139.009185
ΔH_f, kcal/mol:	21.26
Dipole, Da:	5.19
IP(EA), eV:	-8.87(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-isocyanato-2-thiabicyclo[3.1.0]hex-3-ene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C(/C=C/C(=O)C)\C2=CC=CC=C2)/S

DOS

IR

Vibrations