Geometry & MOs

Info

ID:	157903
PubChem CID:	56458873
Reduced:	SN4O5H20C23 (1)
Stoich.:	AB4C5D20E23 (1)
Weight, g/mol:	446.155866
ΔH_f, kcal/mol:	-49.88
Dipole, Da:	2.12
IP(EA), eV:	-8.47(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]-N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CO3)C(=O)N4CSCC4C(=O)NC5=CC=C(C=C5)OC

DOS

IR

Vibrations