Geometry & MOs

Info

ID:	269855
PubChem CID:	103619429
Reduced:	BrSF2N2H5C11 (1)
Stoich.:	ABC2D2E5F11 (1)
Weight, g/mol:	302.082205
ΔH_f, kcal/mol:	-1.75
Dipole, Da:	4.13
IP(EA), eV:	-9.09(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-(6-chloro-3-propan-2-yl-1H-benzimidazol-2-ylidene)-2-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1=C2C(=CC(=C1F)F)N=C(N2)C3=CSC(=C3)Br

DOS

IR

Vibrations