Geometry & MOs

Info

ID:	375906
PubChem CID:	134221902
Reduced:	N2S3C13H30 (1)
Stoich.:	A2B3C13D30 (1)
Weight, g/mol:	453.915
ΔH_f, kcal/mol:	117.44
Dipole, Da:	2.81
IP(EA), eV:	-5.91(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[(E)-3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-1-enyl]benzaldehyde

Drug info:

PubChemData

Smile

CS1(N(CCCN1S(C)(C)C=C)S(C)(C)C=C)C

DOS

IR

Vibrations