Geometry & MOs

Info

ID:	123581
PubChem CID:	50854926
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	349.124883
ΔH_f, kcal/mol:	-94.65
Dipole, Da:	9.6
IP(EA), eV:	-9.04(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(1-cyclohexylpyrrol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=O)/C(=C\C3=CN(C=C3)C4CCCCC4)/C(=O)NC2=O)C

DOS

IR

Vibrations