Geometry & MOs

Info

ID:	376132
PubChem CID:	134222135
Reduced:	ClO2N3F4H8C12 (1)
Stoich.:	AB2C3D4E8F12 (1)
Weight, g/mol:	397.93784
ΔH_f, kcal/mol:	-245.33
Dipole, Da:	6.62
IP(EA), eV:	-9.75(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2Z,3Z)-2-(1-bromoethylidene)-5-iodohexa-3,5-dienoate

Drug info:

PubChemData

Smile

C1=CN(C(=O)N=C1N)C2=C(C(=CC(=C2)C(C(F)(F)F)O)Cl)F

DOS

IR

Vibrations