Geometry & MOs

Info

ID:	144318
PubChem CID:	53349981
Reduced:	BrSF2H4C9 (2)
Stoich.:	ABC2D4E9 (2)
Weight, g/mol:	405.194008
ΔH_f, kcal/mol:	-86.07
Dipole, Da:	3.32
IP(EA), eV:	-8.91(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2E,4E,6E,8E,10S)-8,10-dimethyldodeca-2,4,6,8-tetraenoyl]-2-hydroxy-5-(4-hydroxyphenyl)-1H-pyridin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)SC2=C(C(=C(C(=C2F)F)SC3=CC=CC=C3Br)F)F)Br

DOS

IR

Vibrations