Geometry & MOs

Info

ID:	397078
PubChem CID:	135029696
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	-123.0
Dipole, Da:	5.75
IP(EA), eV:	-9.8(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-phenylimino-3,4-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-3a-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C(C1=CC=C(C=C1)C#N)N)C(=O)OCC

DOS

IR

Vibrations