Geometry & MOs

Info

ID:	124091
PubChem CID:	50872353
Reduced:	N2O4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	493.00958
ΔH_f, kcal/mol:	-95.07
Dipole, Da:	3.61
IP(EA), eV:	-9.09(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CO1)/C=C\2/C(=O)NC(=O)N(C2=O)CC=C

DOS

IR

Vibrations