Geometry & MOs

Info

ID:	182111
PubChem CID:	76845350
Reduced:	NO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	363.071134
ΔH_f, kcal/mol:	13.26
Dipole, Da:	8.85
IP(EA), eV:	-9.25(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)benzimidazole-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=O)N=C3C2C=CC=C3

DOS

IR

Vibrations