Geometry & MOs

Info

ID:	449864
PubChem CID:	135302162
Reduced:	NSH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	249.011205
ΔH_f, kcal/mol:	76.9
Dipole, Da:	2.2
IP(EA), eV:	-8.76(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3Z,5Z,7E,9Z,11E)-7,11-dichlorocyclododeca-1,3,5,7,9,11-hexaene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)CSC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations