Geometry & MOs

Info

ID:	312340
PubChem CID:	126604343
Reduced:	F2O2N7H21C26 (1)
Stoich.:	A2B2C7D21E26 (1)
Weight, g/mol:	193.092521
ΔH_f, kcal/mol:	0.09
Dipole, Da:	5.14
IP(EA), eV:	-9.19(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z,7E)-6,7-bis(prop-2-enylidene)-1,4-thiazepane

Drug info:

PubChemData

Smile

C=C(C#N)C(=O)N1CCC[C@@H]1CN2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC(=CC(=C5)F)F)N

DOS

IR

Vibrations